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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 458 | 7182-53-8 |
| Dose | Unit | Route |
|---|---|---|
| 60 | mg | O |
| 60 | mg | P |
| 60 | mg | R |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 3.69 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,NTRK2,PDK1,PDK4,PRKDC,TEK,TGFBR1 | 18 | |||
| kinase-selectivity-class | EIF2AK3,GRK2,MAP2K6 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1951 | YEAR INTRODUCED |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Abdominal pain | 154.01 | 16.85 | 228 | 12254 | 395493 | 90220472 |
| Swelling face | 104.81 | 16.85 | 88 | 12394 | 81264 | 90534701 |
| Swollen tongue | 102.32 | 16.85 | 69 | 12413 | 45887 | 90570078 |
| Angioedema | 91.55 | 16.85 | 74 | 12408 | 64802 | 90551163 |
| Nail bed inflammation | 90.60 | 16.85 | 25 | 12457 | 1776 | 90614189 |
| Streptococcal sepsis | 89.65 | 16.85 | 29 | 12453 | 3555 | 90612410 |
| Constipation | 87.25 | 16.85 | 146 | 12336 | 280249 | 90335716 |
| Nasal mucosal disorder | 85.28 | 16.85 | 24 | 12458 | 1833 | 90614132 |
| Dysphonia | 84.90 | 16.85 | 70 | 12412 | 63014 | 90552951 |
| Pseudomonal sepsis | 76.74 | 16.85 | 27 | 12455 | 4275 | 90611690 |
| Vascular device infection | 73.68 | 16.85 | 35 | 12447 | 11917 | 90604048 |
| Metastases to central nervous system | 71.95 | 16.85 | 39 | 12443 | 17503 | 90598462 |
| Candida infection | 68.40 | 16.85 | 48 | 12434 | 34009 | 90581956 |
| Drug ineffective for unapproved indication | 67.65 | 16.85 | 63 | 12419 | 66581 | 90549384 |
| Paronychia | 66.95 | 16.85 | 29 | 12453 | 7977 | 90607988 |
| Varicose vein | 56.28 | 16.85 | 25 | 12457 | 7302 | 90608663 |
| Colitis | 55.85 | 16.85 | 58 | 12424 | 69884 | 90546081 |
| Metastases to lymph nodes | 53.61 | 16.85 | 28 | 12454 | 11661 | 90604304 |
| Sepsis | 52.37 | 16.85 | 91 | 12391 | 179723 | 90436242 |
| Hydronephrosis | 52.05 | 16.85 | 28 | 12454 | 12374 | 90603591 |
| Brain oedema | 48.27 | 16.85 | 30 | 12452 | 17355 | 90598610 |
| Vomiting | 45.16 | 16.85 | 221 | 12261 | 788072 | 89827893 |
| Lymphoedema | 44.02 | 16.85 | 26 | 12456 | 13727 | 90602238 |
| Nausea | 42.94 | 16.85 | 280 | 12202 | 1110036 | 89505929 |
| Restlessness | 42.62 | 16.85 | 37 | 12445 | 35683 | 90580282 |
| Diarrhoea | 38.82 | 16.85 | 241 | 12241 | 938949 | 89677016 |
| Starvation ketoacidosis | 36.46 | 16.85 | 8 | 12474 | 217 | 90615748 |
| Arthropathy | 36.39 | 16.85 | 4 | 12478 | 366238 | 90249727 |
| Systemic lupus erythematosus | 35.84 | 16.85 | 4 | 12478 | 361892 | 90254073 |
| Lip swelling | 34.43 | 16.85 | 34 | 12448 | 38576 | 90577389 |
| Off label use | 34.40 | 16.85 | 264 | 12218 | 1101988 | 89513977 |
| Skin fissures | 34.22 | 16.85 | 26 | 12456 | 20783 | 90595182 |
| Glossodynia | 33.31 | 16.85 | 3 | 12479 | 321776 | 90294189 |
| Infective exacerbation of chronic obstructive airways disease | 33.04 | 16.85 | 11 | 12471 | 1475 | 90614490 |
| Synovitis | 31.77 | 16.85 | 4 | 12478 | 329748 | 90286217 |
| Morbid thoughts | 31.27 | 16.85 | 9 | 12473 | 745 | 90615220 |
| Naevus haemorrhage | 29.14 | 16.85 | 6 | 12476 | 119 | 90615846 |
| Aphonia | 28.61 | 16.85 | 19 | 12463 | 12300 | 90603665 |
| Intestinal obstruction | 26.46 | 16.85 | 29 | 12453 | 37102 | 90578863 |
| Pulmonary artery stenosis congenital | 25.93 | 16.85 | 7 | 12475 | 458 | 90615507 |
| Chemical burns of eye | 25.24 | 16.85 | 5 | 12477 | 81 | 90615884 |
| Purulent discharge | 24.93 | 16.85 | 13 | 12469 | 5392 | 90610573 |
| Drug diversion | 24.28 | 16.85 | 8 | 12474 | 1039 | 90614926 |
| Arthropod bite | 24.01 | 16.85 | 15 | 12467 | 8752 | 90607213 |
| Enterocolitis | 23.93 | 16.85 | 16 | 12466 | 10474 | 90605491 |
| Urinary tract infection | 23.72 | 16.85 | 94 | 12388 | 305538 | 90310427 |
| Colitis ulcerative | 23.70 | 16.85 | 35 | 12447 | 60231 | 90555734 |
| Obstructive pancreatitis | 23.28 | 16.85 | 7 | 12475 | 674 | 90615291 |
| Eczema | 22.68 | 16.85 | 32 | 12450 | 52838 | 90563127 |
| Contraindicated product administered | 22.49 | 16.85 | 8 | 12474 | 320131 | 90295834 |
| Treatment failure | 22.39 | 16.85 | 7 | 12475 | 303921 | 90312044 |
| Impaired healing | 22.17 | 16.85 | 3 | 12479 | 234196 | 90381769 |
| Essential tremor | 21.93 | 16.85 | 8 | 12474 | 1404 | 90614561 |
| Blood creatinine increased | 21.66 | 16.85 | 45 | 12437 | 101341 | 90514624 |
| Helicobacter infection | 21.25 | 16.85 | 3 | 12479 | 226847 | 90389118 |
| Metastatic gastric cancer | 21.16 | 16.85 | 5 | 12477 | 190 | 90615775 |
| Jaundice | 20.78 | 16.85 | 24 | 12458 | 32493 | 90583472 |
| Adrenocortical insufficiency acute | 20.38 | 16.85 | 9 | 12473 | 2592 | 90613373 |
| Malaise | 20.24 | 16.85 | 144 | 12338 | 585842 | 90030123 |
| Bowel movement irregularity | 20.02 | 16.85 | 12 | 12470 | 6502 | 90609463 |
| Nephrolithiasis | 20.01 | 16.85 | 29 | 12453 | 49056 | 90566909 |
| Pharyngeal swelling | 19.92 | 16.85 | 14 | 12468 | 9930 | 90606035 |
| Intestinal perforation | 19.91 | 16.85 | 16 | 12466 | 13865 | 90602100 |
| Anorectal malformation | 19.91 | 16.85 | 5 | 12477 | 246 | 90615719 |
| Atrial septal defect | 19.85 | 16.85 | 13 | 12469 | 8221 | 90607744 |
| Allergic cough | 19.81 | 16.85 | 7 | 12475 | 1121 | 90614844 |
| Infusion related reaction | 19.78 | 16.85 | 17 | 12465 | 416763 | 90199202 |
| Subcutaneous abscess | 19.77 | 16.85 | 12 | 12470 | 6654 | 90609311 |
| Abdominal discomfort | 19.74 | 16.85 | 22 | 12460 | 477306 | 90138659 |
| Hepatitis E | 19.63 | 16.85 | 8 | 12474 | 1891 | 90614074 |
| Therapeutic product effect decreased | 19.38 | 16.85 | 7 | 12475 | 277564 | 90338401 |
| Alopecia | 19.20 | 16.85 | 24 | 12458 | 495047 | 90120918 |
| Oligohydramnios | 18.92 | 16.85 | 12 | 12470 | 7189 | 90608776 |
| Faeces hard | 18.48 | 16.85 | 9 | 12473 | 3233 | 90612732 |
| Skin warm | 18.20 | 16.85 | 12 | 12470 | 7675 | 90608290 |
| Drug abuse | 18.12 | 16.85 | 37 | 12445 | 82310 | 90533655 |
| Encephalopathy neonatal | 17.70 | 16.85 | 3 | 12479 | 19 | 90615946 |
| Stomatitis | 17.44 | 16.85 | 8 | 12474 | 274690 | 90341275 |
| Pericarditis | 16.95 | 16.85 | 8 | 12474 | 270143 | 90345822 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Abdominal pain | 49.50 | 18.60 | 83 | 4847 | 190388 | 42426017 |
| Pancreatic neoplasm | 39.52 | 18.60 | 11 | 4919 | 963 | 42615442 |
| Genitalia external ambiguous | 37.34 | 18.60 | 8 | 4922 | 232 | 42616173 |
| Congenital bladder anomaly | 36.06 | 18.60 | 8 | 4922 | 274 | 42616131 |
| Foetal hypokinesia | 33.48 | 18.60 | 8 | 4922 | 382 | 42616023 |
| Neonatal respiratory depression | 32.06 | 18.60 | 8 | 4922 | 458 | 42615947 |
| Foetal exposure during pregnancy | 31.84 | 18.60 | 33 | 4897 | 47278 | 42569127 |
| Anomaly of external ear congenital | 30.38 | 18.60 | 6 | 4924 | 115 | 42616290 |
| Anal stenosis | 29.22 | 18.60 | 7 | 4923 | 338 | 42616067 |
| Diarrhoea | 28.70 | 18.60 | 117 | 4813 | 460732 | 42155673 |
| External auditory canal atresia | 27.65 | 18.60 | 6 | 4924 | 185 | 42616220 |
| Hyperaesthesia | 25.90 | 18.60 | 13 | 4917 | 5939 | 42610466 |
| Vomiting | 25.13 | 18.60 | 82 | 4848 | 289641 | 42326764 |
| Tumour invasion | 23.58 | 18.60 | 6 | 4924 | 372 | 42616033 |
| Interleukin level increased | 22.49 | 18.60 | 7 | 4923 | 903 | 42615502 |
| Oral mucosal blistering | 22.24 | 18.60 | 9 | 4921 | 2492 | 42613913 |
| Faeces hard | 21.83 | 18.60 | 8 | 4922 | 1696 | 42614709 |
| Respiratory disorder neonatal | 20.70 | 18.60 | 8 | 4922 | 1962 | 42614443 |
| Neuroleptic malignant syndrome | 20.16 | 18.60 | 18 | 4912 | 21454 | 42594951 |
| Abdominal pain upper | 20.06 | 18.60 | 35 | 4895 | 82574 | 42533831 |
| Atrial septal defect | 19.80 | 18.60 | 12 | 4918 | 7907 | 42608498 |
| Gastritis erosive | 19.27 | 18.60 | 11 | 4919 | 6492 | 42609913 |
| Decubitus ulcer | 19.07 | 18.60 | 13 | 4917 | 10464 | 42605941 |
| Lactose intolerance | 19.03 | 18.60 | 7 | 4923 | 1499 | 42614906 |
| Intercepted product storage error | 18.74 | 18.60 | 5 | 4925 | 373 | 42616032 |
| Hepatitis alcoholic | 18.73 | 18.60 | 5 | 4925 | 374 | 42616031 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Abdominal pain | 171.12 | 14.95 | 286 | 16041 | 512703 | 110060269 |
| Swollen tongue | 106.85 | 14.95 | 81 | 16246 | 60281 | 110512691 |
| Swelling face | 97.49 | 14.95 | 92 | 16235 | 92229 | 110480743 |
| Nail bed inflammation | 90.36 | 14.95 | 26 | 16301 | 2004 | 110570968 |
| Nasal mucosal disorder | 87.77 | 14.95 | 25 | 16302 | 1858 | 110571114 |
| Constipation | 81.95 | 14.95 | 170 | 16157 | 357616 | 110215356 |
| Streptococcal sepsis | 81.49 | 14.95 | 30 | 16297 | 5042 | 110567930 |
| Dysphonia | 76.99 | 14.95 | 74 | 16253 | 75855 | 110497117 |
| Pseudomonal sepsis | 64.72 | 14.95 | 30 | 16297 | 9016 | 110563956 |
| Vascular device infection | 63.40 | 14.95 | 36 | 16291 | 16476 | 110556496 |
| Angioedema | 62.69 | 14.95 | 75 | 16252 | 98425 | 110474547 |
| Metastases to central nervous system | 62.39 | 14.95 | 40 | 16287 | 22777 | 110550195 |
| Diarrhoea | 61.38 | 14.95 | 330 | 15997 | 1139175 | 109433797 |
| Vomiting | 59.77 | 14.95 | 279 | 16048 | 910396 | 109662576 |
| Varicose vein | 59.12 | 14.95 | 26 | 16301 | 6914 | 110566058 |
| Paronychia | 58.93 | 14.95 | 30 | 16297 | 11051 | 110561921 |
| Candida infection | 54.83 | 14.95 | 50 | 16277 | 47959 | 110525013 |
| Metastases to lymph nodes | 47.78 | 14.95 | 29 | 16298 | 15003 | 110557969 |
| Nausea | 47.51 | 14.95 | 328 | 15999 | 1235362 | 109337610 |
| Drug ineffective for unapproved indication | 46.25 | 14.95 | 66 | 16261 | 102772 | 110470200 |
| Colitis | 45.04 | 14.95 | 65 | 16262 | 102258 | 110470714 |
| Restlessness | 39.38 | 14.95 | 45 | 16282 | 56214 | 110516758 |
| Hydronephrosis | 37.14 | 14.95 | 28 | 16299 | 20637 | 110552335 |
| Sepsis | 34.04 | 14.95 | 116 | 16211 | 327230 | 110245742 |
| Lymphoedema | 33.16 | 14.95 | 23 | 16304 | 14906 | 110558066 |
| Neutropenic sepsis | 33.12 | 14.95 | 31 | 16296 | 30715 | 110542257 |
| Intestinal obstruction | 32.98 | 14.95 | 40 | 16287 | 53187 | 110519785 |
| Enterocolitis | 32.57 | 14.95 | 25 | 16302 | 18924 | 110554048 |
| Malaise | 32.29 | 14.95 | 189 | 16138 | 671630 | 109901342 |
| Arthropathy | 31.55 | 14.95 | 3 | 16324 | 287519 | 110285453 |
| Lip swelling | 31.27 | 14.95 | 38 | 16289 | 50629 | 110522343 |
| Brain oedema | 30.92 | 14.95 | 30 | 16297 | 31068 | 110541904 |
| Pancreatic neoplasm | 30.05 | 14.95 | 11 | 16316 | 1818 | 110571154 |
| Skin fissures | 28.95 | 14.95 | 26 | 16301 | 24432 | 110548540 |
| Morbid thoughts | 28.89 | 14.95 | 9 | 16318 | 910 | 110572062 |
| Naevus haemorrhage | 28.73 | 14.95 | 6 | 16321 | 119 | 110572853 |
| Faeces hard | 27.05 | 14.95 | 13 | 16314 | 4233 | 110568739 |
| Aphonia | 26.67 | 14.95 | 19 | 16308 | 12841 | 110560131 |
| Urinary tract infection | 26.67 | 14.95 | 107 | 16220 | 326175 | 110246797 |
| Anorectal malformation | 26.45 | 14.95 | 5 | 16322 | 58 | 110572914 |
| Pharyngeal swelling | 25.47 | 14.95 | 18 | 16309 | 12014 | 110560958 |
| Neuroleptic malignant syndrome | 25.12 | 14.95 | 28 | 16299 | 34031 | 110538941 |
| Synovitis | 25.05 | 14.95 | 5 | 16322 | 274087 | 110298885 |
| Off label use | 24.25 | 14.95 | 332 | 15995 | 1499853 | 109073119 |
| Infective exacerbation of chronic obstructive airways disease | 24.13 | 14.95 | 11 | 16316 | 3179 | 110569793 |
| Eczema | 23.55 | 14.95 | 40 | 16287 | 72253 | 110500719 |
| Chemical burns of eye | 23.23 | 14.95 | 5 | 16322 | 115 | 110572857 |
| Glossodynia | 22.63 | 14.95 | 3 | 16324 | 222001 | 110350971 |
| Systemic lupus erythematosus | 22.50 | 14.95 | 5 | 16322 | 254333 | 110318639 |
| Jaundice | 22.31 | 14.95 | 35 | 16292 | 59201 | 110513771 |
| Levator syndrome | 21.98 | 14.95 | 4 | 16323 | 37 | 110572935 |
| Metastatic gastric cancer | 21.85 | 14.95 | 6 | 16321 | 390 | 110572582 |
| Arthropod bite | 21.71 | 14.95 | 15 | 16312 | 9656 | 110563316 |
| Purulent discharge | 20.81 | 14.95 | 13 | 16314 | 7070 | 110565902 |
| Nephrolithiasis | 20.73 | 14.95 | 36 | 16291 | 66176 | 110506796 |
| Allergic cough | 19.93 | 14.95 | 7 | 16320 | 1028 | 110571944 |
| Tumour invasion | 19.57 | 14.95 | 6 | 16321 | 575 | 110572397 |
| Discomfort | 19.44 | 14.95 | 4 | 16323 | 214703 | 110358269 |
| Borderline personality disorder | 19.44 | 14.95 | 7 | 16320 | 1105 | 110571867 |
| Essential tremor | 19.26 | 14.95 | 8 | 16319 | 1850 | 110571122 |
| Impaired healing | 19.25 | 14.95 | 3 | 16324 | 196714 | 110376258 |
| Treatment failure | 18.33 | 14.95 | 9 | 16318 | 277225 | 110295747 |
| Pericarditis | 18.04 | 14.95 | 5 | 16322 | 219109 | 110353863 |
| Therapeutic product effect decreased | 17.62 | 14.95 | 7 | 16320 | 244309 | 110328663 |
| Intestinal perforation | 16.81 | 14.95 | 18 | 16309 | 20926 | 110552046 |
| Haematochezia | 16.72 | 14.95 | 46 | 16281 | 115478 | 110457494 |
| Enteritis | 16.33 | 14.95 | 17 | 16310 | 19139 | 110553833 |
| Perforation | 16.13 | 14.95 | 7 | 16320 | 1803 | 110571169 |
| Cholangitis acute | 15.76 | 14.95 | 7 | 16320 | 1906 | 110571066 |
| Back pain | 15.64 | 14.95 | 101 | 16226 | 370895 | 110202077 |
| Colitis ulcerative | 15.63 | 14.95 | 35 | 16292 | 77328 | 110495644 |
| Skin warm | 15.54 | 14.95 | 12 | 16315 | 9158 | 110563814 |
| Subcutaneous abscess | 15.37 | 14.95 | 12 | 16315 | 9305 | 110563667 |
| Helicobacter infection | 15.25 | 14.95 | 4 | 16323 | 181873 | 110391099 |
| Vulvovaginal swelling | 15.15 | 14.95 | 5 | 16322 | 608 | 110572364 |
| Administration site swelling | 15.01 | 14.95 | 5 | 16322 | 626 | 110572346 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A03BB01 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS BELLADONNA AND DERIVATIVES, PLAIN Belladonna alkaloids, semisynthetic, quaternary ammonium compounds |
| ATC | A03DB04 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS ANTISPASMODICS IN COMBINATION WITH ANALGESICS Belladonna and derivatives in combination with analgesics |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018727 | Muscarinic Antagonists |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| CHEBI has role | CHEBI:53784 | antispasmodic drug |
| CHEBI has role | CHEBI:35480 | analgesic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Gastric spasm | indication | 196754001 |
| Species | Use | Relation |
|---|---|---|
| Horses | Abdominal pain (colic) associated with spasmodic colic | Indication |
| Horses | Flatulent colic | Indication |
| Horses | Simple impactions | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Buscopan Injectable Solution | Boehringer lngelheim Animal Health USA Inc. | 1 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.24 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | WOMBAT-PK | |||||||
| Muscarinic acetylcholine receptor M2 | GPCR | WOMBAT-PK | |||||||
| Muscarinic acetylcholine receptor M3 | GPCR | WOMBAT-PK | |||||||
| Muscarinic acetylcholine receptor M4 | GPCR | WOMBAT-PK |
| ID | Source |
|---|---|
| 1085787 | RXNORM |
| C0006519 | UMLSCUI |
| CHEBI:32123 | CHEBI |
| CHEMBL1256901 | ChEMBL_ID |
| 6852391 | PUBCHEM_CID |
| CHEMBL1618102 | ChEMBL_ID |
| 149-64-4 | SECONDARY_CAS_RN |
| DB09300 | DRUGBANK_ID |
| 1156229000 | SNOMEDCT_US |
| 395739004 | SNOMEDCT_US |
| D002086 | MESH_DESCRIPTOR_UI |
| 2Z3E1OF81V | UNII |
| 003459 | NDDF |
None