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| Stem definition | Drug id | CAS RN |
|---|---|---|
| alpha-2 adrenoreceptor agonists | 1856 | 75438-57-2 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 0.30 | mg | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.12 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 88 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.80 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 11 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.93 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.20 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.80 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.320 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.871 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.305 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.649 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 89.330 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 85.680 | % | High | 1 |
| herg | hERG pIC50 | 4.271 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.258 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 79.510 | % | High | 1 |
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,MAP3K21,MAPK7,MARK4,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK,TTK | 26 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.455 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.614 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.006 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 92.470 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.051 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 85.790 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.158 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.399 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 95.300 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 87.060 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 939.723 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1991 | 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 |
|---|---|---|---|---|---|---|
| Renal impairment | 225.01 | 25.90 | 113 | 5085 | 105308 | 90517941 |
| Serositis | 155.70 | 25.90 | 31 | 5167 | 1286 | 90621963 |
| Body mass index abnormal | 134.60 | 25.90 | 25 | 5173 | 714 | 90622535 |
| Central nervous system lupus | 119.33 | 25.90 | 25 | 5173 | 1338 | 90621911 |
| Hyperkalaemia | 107.99 | 25.90 | 59 | 5139 | 64905 | 90558344 |
| General physical health deterioration | 98.38 | 25.90 | 111 | 5087 | 355004 | 90268245 |
| Hypertensive crisis | 89.88 | 25.90 | 35 | 5163 | 17749 | 90605500 |
| Haematuria | 87.95 | 25.90 | 42 | 5156 | 34895 | 90588354 |
| Lupus nephritis | 87.89 | 25.90 | 25 | 5173 | 4807 | 90618442 |
| Product prescribing error | 84.39 | 25.90 | 39 | 5159 | 30106 | 90593143 |
| Lactic acidosis | 78.80 | 25.90 | 44 | 5154 | 50419 | 90572830 |
| Acute kidney injury | 71.86 | 25.90 | 90 | 5108 | 320297 | 90302952 |
| Cardiac failure | 70.86 | 25.90 | 55 | 5143 | 109441 | 90513808 |
| Gout | 63.93 | 25.90 | 27 | 5171 | 16832 | 90606417 |
| Electrocardiogram abnormal | 51.07 | 25.90 | 20 | 5178 | 10278 | 90612971 |
| Stevens-Johnson syndrome | 46.89 | 25.90 | 26 | 5172 | 29350 | 90593899 |
| Bradycardia | 41.37 | 25.90 | 36 | 5162 | 83811 | 90539438 |
| Electrolyte imbalance | 37.85 | 25.90 | 21 | 5177 | 23724 | 90599525 |
| Hyperammonaemia | 37.20 | 25.90 | 14 | 5184 | 6461 | 90616788 |
| Abdominal pain | 36.41 | 25.90 | 74 | 5124 | 395647 | 90227602 |
| Language disorder | 36.26 | 25.90 | 11 | 5187 | 2641 | 90620608 |
| Traumatic haemorrhage | 35.67 | 25.90 | 8 | 5190 | 589 | 90622660 |
| Therapeutic drug monitoring analysis not performed | 34.03 | 25.90 | 9 | 5189 | 1320 | 90621929 |
| Mental disability | 31.54 | 25.90 | 6 | 5192 | 195 | 90623054 |
| Peripheral arterial occlusive disease | 30.26 | 25.90 | 11 | 5187 | 4610 | 90618639 |
| Blood creatinine increased | 30.18 | 25.90 | 33 | 5165 | 101353 | 90521896 |
| Hyperglycaemia | 29.49 | 25.90 | 24 | 5174 | 50946 | 90572303 |
| Renal failure | 28.00 | 25.90 | 36 | 5162 | 130971 | 90492278 |
| Left ventricular hypertrophy | 27.21 | 25.90 | 11 | 5187 | 6133 | 90617116 |
| Eye movement disorder | 27.12 | 25.90 | 11 | 5187 | 6187 | 90617062 |
| Orthostatic hypotension | 26.99 | 25.90 | 21 | 5177 | 41806 | 90581443 |
| Drug interaction | 26.95 | 25.90 | 53 | 5145 | 276400 | 90346849 |
| Genotype drug resistance test positive | 26.74 | 25.90 | 6 | 5192 | 443 | 90622806 |
| 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 |
|---|---|---|---|---|---|---|
| Acute kidney injury | 66.20 | 22.17 | 132 | 4525 | 367205 | 42249473 |
| Basal cell carcinoma | 62.86 | 22.17 | 36 | 4621 | 22697 | 42593981 |
| Labelled drug-drug interaction medication error | 57.86 | 22.17 | 30 | 4627 | 15552 | 42601126 |
| Product prescribing error | 55.71 | 22.17 | 35 | 4622 | 26077 | 42590601 |
| Benign gastrointestinal neoplasm | 55.14 | 22.17 | 10 | 4647 | 126 | 42616552 |
| Hemiparaesthesia | 51.34 | 22.17 | 10 | 4647 | 189 | 42616489 |
| Hyperkaliuria | 51.09 | 22.17 | 9 | 4648 | 95 | 42616583 |
| Superficial spreading melanoma stage I | 43.84 | 22.17 | 7 | 4650 | 38 | 42616640 |
| Hyperkalaemia | 42.44 | 22.17 | 48 | 4609 | 80410 | 42536268 |
| Papillary renal cell carcinoma | 40.04 | 22.17 | 9 | 4648 | 347 | 42616331 |
| Product monitoring error | 37.03 | 22.17 | 15 | 4642 | 4408 | 42612270 |
| Peripheral artery stenosis | 36.25 | 22.17 | 10 | 4647 | 897 | 42615781 |
| Linear IgA disease | 35.71 | 22.17 | 12 | 4645 | 2091 | 42614587 |
| Schizophrenia | 35.43 | 22.17 | 19 | 4638 | 10531 | 42606147 |
| Polypectomy | 34.71 | 22.17 | 9 | 4648 | 637 | 42616041 |
| Hypotension | 34.14 | 22.17 | 82 | 4575 | 257549 | 42359129 |
| Drug interaction | 31.18 | 22.17 | 81 | 4576 | 266918 | 42349760 |
| Hypertensive crisis | 30.45 | 22.17 | 17 | 4640 | 10189 | 42606489 |
| Sprue-like enteropathy | 29.91 | 22.17 | 8 | 4649 | 639 | 42616039 |
| Histology abnormal | 29.51 | 22.17 | 7 | 4650 | 343 | 42616335 |
| Chylothorax | 29.39 | 22.17 | 9 | 4648 | 1165 | 42615513 |
| Inappropriate affect | 28.67 | 22.17 | 8 | 4649 | 748 | 42615930 |
| Suspected product contamination | 27.48 | 22.17 | 6 | 4651 | 202 | 42616476 |
| Renal impairment | 25.16 | 22.17 | 44 | 4613 | 110184 | 42506494 |
| Bradycardia | 24.75 | 22.17 | 38 | 4619 | 85446 | 42531232 |
| Periodontitis | 23.81 | 22.17 | 9 | 4648 | 2202 | 42614476 |
| Death | 23.68 | 22.17 | 11 | 4646 | 471174 | 42145504 |
| Manufacturing materials contamination | 23.59 | 22.17 | 4 | 4653 | 33 | 42616645 |
| Cardiac failure | 23.54 | 22.17 | 42 | 4615 | 106814 | 42509864 |
| Dizziness | 23.51 | 22.17 | 70 | 4587 | 249184 | 42367494 |
| Paradoxical drug reaction | 23.15 | 22.17 | 11 | 4646 | 4727 | 42611951 |
| Product contamination | 22.27 | 22.17 | 7 | 4650 | 988 | 42615690 |
| 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 |
|---|---|---|---|---|---|---|
| Renal impairment | 190.39 | 19.24 | 144 | 9165 | 188301 | 110391689 |
| Acute kidney injury | 150.43 | 19.24 | 223 | 9086 | 635207 | 109944783 |
| Hyperkalaemia | 141.99 | 19.24 | 106 | 9203 | 135690 | 110444300 |
| Product prescribing error | 140.79 | 19.24 | 74 | 9235 | 51257 | 110528733 |
| Serositis | 138.39 | 19.24 | 31 | 9278 | 1538 | 110578452 |
| Body mass index abnormal | 119.32 | 19.24 | 25 | 9284 | 903 | 110579087 |
| Central nervous system lupus | 109.93 | 19.24 | 25 | 9284 | 1328 | 110578662 |
| Hypertensive crisis | 105.49 | 19.24 | 48 | 9261 | 24324 | 110555666 |
| General physical health deterioration | 90.07 | 19.24 | 142 | 9167 | 425153 | 110154837 |
| Lupus nephritis | 79.37 | 19.24 | 25 | 9284 | 4620 | 110575370 |
| Labelled drug-drug interaction medication error | 76.79 | 19.24 | 41 | 9268 | 29261 | 110550729 |
| Cardiac failure | 67.45 | 19.24 | 81 | 9228 | 187545 | 110392445 |
| Bradycardia | 64.02 | 19.24 | 72 | 9237 | 155445 | 110424545 |
| Basal cell carcinoma | 62.68 | 19.24 | 42 | 9267 | 45228 | 110534762 |
| Drug interaction | 61.37 | 19.24 | 132 | 9177 | 500051 | 110079939 |
| Benign gastrointestinal neoplasm | 57.45 | 19.24 | 10 | 9299 | 130 | 110579860 |
| Lactic acidosis | 56.40 | 19.24 | 53 | 9256 | 92758 | 110487232 |
| Hyperkaliuria | 54.09 | 19.24 | 10 | 9299 | 186 | 110579804 |
| Hypotension | 52.88 | 19.24 | 128 | 9181 | 523721 | 110056269 |
| Haematuria | 49.66 | 19.24 | 47 | 9262 | 82958 | 110497032 |
| Hemiparaesthesia | 46.78 | 19.24 | 10 | 9299 | 398 | 110579592 |
| Product contamination | 44.13 | 19.24 | 13 | 9296 | 1918 | 110578072 |
| Electrolyte imbalance | 43.37 | 19.24 | 31 | 9278 | 36997 | 110542993 |
| Superficial spreading melanoma stage I | 43.20 | 19.24 | 7 | 9302 | 57 | 110579933 |
| Product monitoring error | 43.14 | 19.24 | 19 | 9290 | 8908 | 110571082 |
| Peripheral artery stenosis | 39.39 | 19.24 | 11 | 9298 | 1343 | 110578647 |
| Gout | 36.93 | 19.24 | 28 | 9281 | 36538 | 110543452 |
| Papillary renal cell carcinoma | 36.44 | 19.24 | 8 | 9301 | 361 | 110579629 |
| Dizziness | 35.52 | 19.24 | 134 | 9175 | 698059 | 109881931 |
| Blood creatinine increased | 33.10 | 19.24 | 57 | 9252 | 182832 | 110397158 |
| Urosepsis | 32.11 | 19.24 | 24 | 9285 | 30651 | 110549339 |
| Hypoglycaemia | 30.54 | 19.24 | 43 | 9266 | 116061 | 110463929 |
| Histology abnormal | 30.34 | 19.24 | 7 | 9302 | 396 | 110579594 |
| Linear IgA disease | 30.14 | 19.24 | 12 | 9297 | 4377 | 110575613 |
| Hyperglycaemia | 29.34 | 19.24 | 36 | 9273 | 85054 | 110494936 |
| Polypectomy | 29.25 | 19.24 | 9 | 9300 | 1540 | 110578450 |
| Arrhythmia | 28.24 | 19.24 | 32 | 9277 | 69543 | 110510447 |
| Language disorder | 28.14 | 19.24 | 11 | 9298 | 3827 | 110576163 |
| Renal failure | 27.93 | 19.24 | 60 | 9249 | 226514 | 110353476 |
| Suspected product contamination | 27.33 | 19.24 | 6 | 9303 | 271 | 110579719 |
| Therapeutic drug monitoring analysis not performed | 27.29 | 19.24 | 9 | 9300 | 1922 | 110578068 |
| Schizophrenia | 27.24 | 19.24 | 19 | 9290 | 21807 | 110558183 |
| Drug hypersensitivity | 25.26 | 19.24 | 4 | 9305 | 454086 | 110125904 |
| Osteochondrosis | 24.94 | 19.24 | 9 | 9300 | 2512 | 110577478 |
| Manufacturing materials contamination | 24.64 | 19.24 | 4 | 9305 | 33 | 110579957 |
| Sprue-like enteropathy | 24.35 | 19.24 | 8 | 9301 | 1688 | 110578302 |
| Inappropriate affect | 24.34 | 19.24 | 8 | 9301 | 1691 | 110578299 |
| Lichen planopilaris | 24.30 | 19.24 | 5 | 9304 | 165 | 110579825 |
| Traumatic haemorrhage | 23.70 | 19.24 | 8 | 9301 | 1836 | 110578154 |
| Blood aldosterone increased | 22.86 | 19.24 | 5 | 9304 | 222 | 110579768 |
| Glomerular filtration rate decreased | 22.47 | 19.24 | 19 | 9290 | 28937 | 110551053 |
| Infected lymphocele | 22.40 | 19.24 | 5 | 9304 | 244 | 110579746 |
| Hyperammonaemia | 22.08 | 19.24 | 14 | 9295 | 13718 | 110566272 |
| Syncope | 21.99 | 19.24 | 51 | 9258 | 202485 | 110377505 |
| Tumour lysis syndrome | 21.45 | 19.24 | 19 | 9290 | 30782 | 110549208 |
| Disorientation | 21.35 | 19.24 | 28 | 9281 | 70643 | 110509347 |
| Circulatory collapse | 21.34 | 19.24 | 22 | 9287 | 42971 | 110537019 |
| Dehydration | 20.72 | 19.24 | 61 | 9248 | 279450 | 110300540 |
| Postrenal failure | 20.47 | 19.24 | 6 | 9303 | 870 | 110579120 |
| Joint swelling | 20.37 | 19.24 | 6 | 9303 | 442839 | 110137151 |
| Parvovirus B19 infection | 20.22 | 19.24 | 8 | 9301 | 2873 | 110577117 |
| Skin squamous cell carcinoma recurrent | 20.14 | 19.24 | 4 | 9305 | 110 | 110579880 |
| Erysipelas | 20.13 | 19.24 | 13 | 9296 | 13145 | 110566845 |
| Pain | 19.98 | 19.24 | 31 | 9278 | 954924 | 109625066 |
| Urogenital infection bacterial | 19.87 | 19.24 | 4 | 9305 | 118 | 110579872 |
| Orthostatic hypotension | 19.63 | 19.24 | 26 | 9283 | 66223 | 110513767 |
| Renin decreased | 19.53 | 19.24 | 4 | 9305 | 129 | 110579861 |
| Tachypnoea | 19.27 | 19.24 | 20 | 9289 | 39375 | 110540615 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C02AC05 | CARDIOVASCULAR SYSTEM ANTIHYPERTENSIVES ANTIADRENERGIC AGENTS, CENTRALLY ACTING Imidazoline receptor agonists |
| ATC | C02LC05 | CARDIOVASCULAR SYSTEM ANTIHYPERTENSIVES ANTIHYPERTENSIVES AND DIURETICS IN COMBINATION Imidazoline receptor agonists in combination with diuretics |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:50514 | vasoconstrictor agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Essential hypertension | indication | 59621000 | DOID:10825 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.96 | Basic |
| pKa2 | 2.26 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Nischarin | Membrane receptor | AGONIST | Ki | 8.38 | CHEMBL | SCIENTIFIC LITERATURE | |||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 6.40 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | AGONIST | IC50 | 7.50 | IUPHAR | ||||
| Alpha-2C adrenergic receptor | GPCR | Ki | 5.70 | CHEMBL | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.82 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 6.15 | CHEMBL | |||||
| Nischarin | Membrane receptor | Ki | 7.11 | CHEMBL | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6 | CHEMBL |
| ID | Source |
|---|---|
| D05087 | KEGG_DRUG |
| C0066837 | UMLSCUI |
| CHEBI:7009 | CHEBI |
| CHEMBL19236 | ChEMBL_ID |
| DB09242 | DRUGBANK_ID |
| 4810 | PUBCHEM_CID |
| C043482 | MESH_SUPPLEMENTAL_RECORD_UI |
| 12574 | IUPHAR_LIGAND_ID |
| 5207 | INN_ID |
| CC6X0L40GW | UNII |
| 30257 | RXNORM |
| 006139 | NDDF |
| 318706009 | SNOMEDCT_US |
| 395805008 | SNOMEDCT_US |
None