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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3157 | 520-27-4 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,ACVRL1,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 35 | |||
| kinase-selectivity-class | AXL,CDK9,CHUK,GRK2,MAP2K6,MAP3K14,PDK1,PIK3CA,PIK3CD,PRKDC,ZAP70 | 11 | |||
| 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 |
|---|---|---|---|---|---|---|
| Tubulointerstitial nephritis and uveitis syndrome | 66.77 | 21.98 | 10 | 1539 | 262 | 90626636 |
| Erysipelas | 63.14 | 21.98 | 17 | 1532 | 9035 | 90617863 |
| Myoglobin blood increased | 43.49 | 21.98 | 9 | 1540 | 1543 | 90625355 |
| Hypercapnia | 34.88 | 21.98 | 10 | 1539 | 6667 | 90620231 |
| Delirium | 30.23 | 21.98 | 20 | 1529 | 104339 | 90522559 |
| Activated partial thromboplastin time prolonged | 29.04 | 21.98 | 9 | 1540 | 7816 | 90619082 |
| Hepatic encephalopathy | 24.05 | 21.98 | 9 | 1540 | 13763 | 90613135 |
| Thrombocytopenia | 23.55 | 21.98 | 23 | 1526 | 208702 | 90418196 |
| Drug interaction | 23.21 | 21.98 | 26 | 1523 | 276427 | 90350471 |
| Hepatitis acute | 22.29 | 21.98 | 8 | 1541 | 10879 | 90616019 |
| 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 |
|---|---|---|---|---|---|---|
| Blood lactic acid | 97.08 | 43.34 | 14 | 611 | 332 | 42620378 |
| 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 |
|---|---|---|---|---|---|---|
| Blood lactic acid | 88.48 | 23.01 | 14 | 2140 | 464 | 110586681 |
| Tubulointerstitial nephritis and uveitis syndrome | 61.46 | 23.01 | 10 | 2144 | 396 | 110586749 |
| Erysipelas | 54.63 | 23.01 | 17 | 2137 | 13141 | 110574004 |
| Myoglobin blood increased | 38.09 | 23.01 | 10 | 2144 | 4222 | 110582923 |
| Lentigo maligna | 36.90 | 23.01 | 7 | 2147 | 675 | 110586470 |
| Ventricular tachycardia | 35.54 | 23.01 | 18 | 2136 | 49991 | 110537154 |
| Hypercapnia | 32.41 | 23.01 | 11 | 2143 | 11148 | 110575997 |
| Lower respiratory tract congestion | 23.32 | 23.01 | 7 | 2147 | 4789 | 110582356 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C05CA03 | CARDIOVASCULAR SYSTEM VASOPROTECTIVES CAPILLARY STABILIZING AGENTS Bioflavonoids |
| ATC | C05CA53 | CARDIOVASCULAR SYSTEM VASOPROTECTIVES CAPILLARY STABILIZING AGENTS Bioflavonoids |
| CHEBI has role | CHEBI:22586 | antioxidant |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.73 | acidic |
| pKa2 | 10.43 | acidic |
| pKa3 | 12.32 | acidic |
| pKa4 | 13.05 | acidic |
| pKa5 | 13.7 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Enzyme | IC50 | 4.99 | CHEMBL | |||||
| Inhibitor of nuclear factor kappa-B kinase subunit beta | Kinase | IC50 | 5.41 | CHEMBL |
| ID | Source |
|---|---|
| N0000167025 | NUI |
| D07858 | KEGG_DRUG |
| 4036523 | VANDF |
| C0012498 | UMLSCUI |
| CHEBI:4631 | CHEBI |
| CHEMBL231884 | ChEMBL_ID |
| D004145 | MESH_DESCRIPTOR_UI |
| DB08995 | DRUGBANK_ID |
| 4370 | INN_ID |
| 7QM776WJ5N | UNII |
| 5281613 | PUBCHEM_CID |
| 3489 | RXNORM |
| 005803 | NDDF |
| 126142004 | SNOMEDCT_US |
| 8143001 | SNOMEDCT_US |
| 7QM776WJ5N | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Bruselix Bruising | HUMAN PRESCRIPTION DRUG LABEL | 8 | 59088-003 | TABLET | 200 mg | ORAL | unapproved drug other | 10 sections |