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| Stem definition | Drug id | CAS RN |
|---|---|---|
| mucolytic, bromhexine derivatives | 402 | 3572-43-8 |
| Dose | Unit | Route |
|---|---|---|
| 24 | mg | O |
| 24 | mg | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 77.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | AXL,CDK4,EIF2AK3,GRK2,STK33,TEK,TTK | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| 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 |
|---|---|---|---|---|---|---|
| Pneumonia aspiration | 122.64 | 32.92 | 43 | 2044 | 40897 | 90585463 |
| Coma | 79.55 | 32.92 | 37 | 2050 | 72595 | 90553765 |
| Vaginal flatulence | 73.56 | 32.92 | 22 | 2065 | 12616 | 90613744 |
| Underdose | 70.15 | 32.92 | 31 | 2056 | 53986 | 90572374 |
| Female genital tract fistula | 70.08 | 32.92 | 23 | 2064 | 17845 | 90608515 |
| Proctitis | 69.48 | 32.92 | 22 | 2065 | 15237 | 90611123 |
| Radiculopathy | 65.31 | 32.92 | 22 | 2065 | 18483 | 90607877 |
| Vaginal discharge | 64.22 | 32.92 | 22 | 2065 | 19442 | 90606918 |
| Chronic sinusitis | 63.62 | 32.92 | 23 | 2064 | 23779 | 90602581 |
| Nephrosclerosis | 61.26 | 32.92 | 12 | 2075 | 1157 | 90625203 |
| Paraesthesia oral | 60.72 | 32.92 | 24 | 2063 | 31635 | 90594725 |
| Renal tubular atrophy | 57.59 | 32.92 | 11 | 2076 | 929 | 90625431 |
| Procedural pain | 56.07 | 32.92 | 23 | 2064 | 33337 | 90593023 |
| Gastrooesophageal reflux disease | 55.63 | 32.92 | 39 | 2048 | 166298 | 90460062 |
| Oral candidiasis | 51.39 | 32.92 | 22 | 2065 | 35433 | 90590927 |
| Macular degeneration | 49.94 | 32.92 | 22 | 2065 | 37948 | 90588412 |
| Somnolence | 49.80 | 32.92 | 40 | 2047 | 209044 | 90417316 |
| Kidney fibrosis | 48.10 | 32.92 | 11 | 2076 | 2223 | 90624137 |
| Tubulointerstitial nephritis | 47.84 | 32.92 | 19 | 2068 | 25324 | 90601036 |
| Frequent bowel movements | 44.31 | 32.92 | 23 | 2064 | 56912 | 90569448 |
| Colitis ulcerative | 43.08 | 32.92 | 23 | 2064 | 60243 | 90566117 |
| Haematochezia | 42.26 | 32.92 | 24 | 2063 | 70889 | 90555471 |
| Colitis | 39.88 | 32.92 | 23 | 2064 | 69919 | 90556441 |
| Rectal haemorrhage | 38.82 | 32.92 | 24 | 2063 | 82720 | 90543640 |
| Constipation | 37.85 | 32.92 | 39 | 2048 | 280356 | 90346004 |
| Anaemia | 37.07 | 32.92 | 43 | 2044 | 352759 | 90273601 |
| 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 |
|---|---|---|---|---|---|---|
| Central nervous system mass | 64.69 | 30.85 | 13 | 1651 | 838 | 42618833 |
| Wall motion score index abnormal | 64.63 | 30.85 | 13 | 1651 | 842 | 42618829 |
| Airway remodelling | 63.96 | 30.85 | 13 | 1651 | 887 | 42618784 |
| Cardiac septal defect | 63.12 | 30.85 | 13 | 1651 | 947 | 42618724 |
| Atopy | 62.92 | 30.85 | 13 | 1651 | 962 | 42618709 |
| Eosinophilic myocarditis | 58.49 | 30.85 | 13 | 1651 | 1360 | 42618311 |
| Microangiopathy | 55.86 | 30.85 | 13 | 1651 | 1669 | 42618002 |
| Pneumonia | 54.63 | 30.85 | 74 | 1590 | 422075 | 42197596 |
| Chronic sinusitis | 51.44 | 30.85 | 14 | 1650 | 3378 | 42616293 |
| Eosinophilic pneumonia | 46.42 | 30.85 | 14 | 1650 | 4860 | 42614811 |
| Eosinophil count decreased | 46.13 | 30.85 | 13 | 1651 | 3563 | 42616108 |
| Blood immunoglobulin E increased | 45.95 | 30.85 | 13 | 1651 | 3612 | 42616059 |
| Nasal polyps | 45.18 | 30.85 | 13 | 1651 | 3838 | 42615833 |
| Ventricular hypokinesia | 37.74 | 30.85 | 13 | 1651 | 6871 | 42612800 |
| Eosinophil count increased | 35.56 | 30.85 | 14 | 1650 | 10749 | 42608922 |
| Respiratory tract infection | 31.81 | 30.85 | 17 | 1647 | 26305 | 42593366 |
| Respiratory symptom | 31.69 | 30.85 | 13 | 1651 | 11093 | 42608578 |
| Eosinophilic granulomatosis with polyangiitis | 31.24 | 30.85 | 12 | 1652 | 8626 | 42611045 |
| Lacrimation increased | 30.97 | 30.85 | 13 | 1651 | 11745 | 42607926 |
| Pneumonia aspiration | 30.92 | 30.85 | 21 | 1643 | 50057 | 42569614 |
| 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 |
|---|---|---|---|---|---|---|
| Pneumonia aspiration | 132.24 | 25.84 | 62 | 3819 | 81171 | 110504247 |
| Chronic sinusitis | 98.64 | 25.84 | 36 | 3845 | 25048 | 110560370 |
| Vaginal flatulence | 65.25 | 25.84 | 22 | 3859 | 12122 | 110573296 |
| Female genital tract fistula | 62.30 | 25.84 | 23 | 3858 | 16496 | 110568922 |
| Pneumonia | 61.73 | 25.84 | 110 | 3771 | 876604 | 109708814 |
| Central nervous system mass | 60.24 | 25.84 | 12 | 3869 | 822 | 110584596 |
| Wall motion score index abnormal | 60.14 | 25.84 | 12 | 3869 | 829 | 110584589 |
| Airway remodelling | 58.78 | 25.84 | 12 | 3869 | 930 | 110584488 |
| Radiculopathy | 58.78 | 25.84 | 23 | 3858 | 19313 | 110566105 |
| Cardiac septal defect | 58.30 | 25.84 | 12 | 3869 | 969 | 110584449 |
| Proctitis | 58.11 | 25.84 | 22 | 3859 | 16905 | 110568513 |
| Vaginal discharge | 56.91 | 25.84 | 22 | 3859 | 17886 | 110567532 |
| Atopy | 56.36 | 25.84 | 12 | 3869 | 1142 | 110584276 |
| Underdose | 55.58 | 25.84 | 32 | 3849 | 63522 | 110521896 |
| Macular degeneration | 52.86 | 25.84 | 22 | 3859 | 21637 | 110563781 |
| Coma | 52.80 | 25.84 | 39 | 3842 | 117830 | 110467588 |
| Nephrosclerosis | 49.66 | 25.84 | 12 | 3869 | 2009 | 110583409 |
| Paraesthesia oral | 49.52 | 25.84 | 24 | 3857 | 33647 | 110551771 |
| Eosinophilic myocarditis | 49.29 | 25.84 | 12 | 3869 | 2073 | 110583345 |
| Procedural pain | 45.33 | 25.84 | 23 | 3858 | 35542 | 110549876 |
| Microangiopathy | 45.07 | 25.84 | 12 | 3869 | 2960 | 110582458 |
| Renal tubular atrophy | 43.27 | 25.84 | 11 | 3870 | 2265 | 110583153 |
| Eosinophilic pneumonia | 42.43 | 25.84 | 14 | 3867 | 7213 | 110578205 |
| Gastrooesophageal reflux disease | 42.16 | 25.84 | 41 | 3840 | 179935 | 110405483 |
| Oral candidiasis | 37.69 | 25.84 | 22 | 3859 | 44738 | 110540680 |
| Constipation | 37.55 | 25.84 | 54 | 3827 | 357732 | 110227686 |
| Eosinophil count decreased | 36.71 | 25.84 | 12 | 3869 | 6006 | 110579412 |
| Kidney fibrosis | 36.12 | 25.84 | 11 | 3870 | 4381 | 110581037 |
| Colitis ulcerative | 35.53 | 25.84 | 26 | 3855 | 77337 | 110508081 |
| Blood immunoglobulin E increased | 34.15 | 25.84 | 12 | 3869 | 7470 | 110577948 |
| Eosinophil count increased | 30.92 | 25.84 | 15 | 3866 | 21043 | 110564375 |
| Nasal polyps | 30.83 | 25.84 | 13 | 3868 | 13187 | 110572231 |
| Frequent bowel movements | 30.55 | 25.84 | 23 | 3858 | 71367 | 110514051 |
| Ventricular hypokinesia | 29.42 | 25.84 | 12 | 3869 | 11202 | 110574216 |
| Tubulointerstitial nephritis | 28.97 | 25.84 | 20 | 3861 | 54264 | 110531154 |
| Pyrexia | 28.25 | 25.84 | 82 | 3799 | 898183 | 109687235 |
| Upper respiratory tract inflammation | 27.81 | 25.84 | 9 | 3872 | 4362 | 110581056 |
| Colitis | 27.16 | 25.84 | 25 | 3856 | 102298 | 110483120 |
| Somnolence | 27.04 | 25.84 | 42 | 3839 | 297407 | 110288011 |
| Eosinophilic granulomatosis with polyangiitis | 26.56 | 25.84 | 11 | 3870 | 10675 | 110574743 |
| Haematochezia | 26.43 | 25.84 | 26 | 3855 | 115498 | 110469920 |
| Respiratory symptom | 26.11 | 25.84 | 12 | 3869 | 14933 | 110570485 |
| Hepatic function abnormal | 26.03 | 25.84 | 23 | 3858 | 89272 | 110496146 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R05CB02 | RESPIRATORY SYSTEM COUGH AND COLD PREPARATIONS EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS Mucolytics |
| MeSH PA | D005100 | Expectorants |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:77034 | mucolytic |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:38068 | antimalarial |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.16 | Basic |
| pKa2 | 0.87 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 7.60 | DRUG MATRIX | |||||
| Sodium-dependent serotonin transporter | Transporter | Ki | 5.95 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 6.71 | DRUG MATRIX | |||||
| Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 7.44 | DRUG MATRIX |
| ID | Source |
|---|---|
| N0000166541 | NUI |
| D01778 | KEGG_DRUG |
| 1601 | RXNORM |
| C0006220 | UMLSCUI |
| CHEBI:77032 | CHEBI |
| CHEMBL253376 | ChEMBL_ID |
| DB09019 | DRUGBANK_ID |
| D001964 | MESH_DESCRIPTOR_UI |
| 2442 | PUBCHEM_CID |
| 11218 | IUPHAR_LIGAND_ID |
| 2584 | INN_ID |
| 611-75-6 | SECONDARY_CAS_RN |
| Q1J152VB1P | UNII |
| NOCODE | MMSL |
| 412102008 | SNOMEDCT_US |
| 708561003 | SNOMEDCT_US |
| 846647005 | SNOMEDCT_US |
| CHEMBL1319139 | ChEMBL_ID |
| 003678 | NDDF |
| 003679 | NDDF |
None