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| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium channel blockers, nifedipine derivatives | 3880 | 105979-17-7 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 1.90 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 1 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.23 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,TEK,TTK,ZAP70 | 39 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,GRK2,STK33,TEK | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| 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 |
|---|---|---|---|---|---|---|
| Cerebral infarction | 77.43 | 33.48 | 25 | 1427 | 26571 | 90600424 |
| Inappropriate antidiuretic hormone secretion | 72.07 | 33.48 | 22 | 1430 | 19483 | 90607512 |
| Renal impairment | 52.56 | 33.48 | 28 | 1424 | 105393 | 90521602 |
| Altered state of consciousness | 46.93 | 33.48 | 18 | 1434 | 31514 | 90595481 |
| Hepatic function abnormal | 46.76 | 33.48 | 20 | 1432 | 46268 | 90580727 |
| Blood pressure decreased | 43.34 | 33.48 | 22 | 1430 | 74873 | 90552122 |
| Hyponatraemia | 33.91 | 33.48 | 23 | 1429 | 133515 | 90493480 |
| 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 |
|---|---|---|---|---|---|---|
| Interstitial lung disease | 58.87 | 26.39 | 37 | 1614 | 78425 | 42541259 |
| Cerebral infarction | 52.14 | 26.39 | 25 | 1626 | 31144 | 42588540 |
| Prinzmetal angina | 42.57 | 26.39 | 10 | 1641 | 1347 | 42618337 |
| Renal impairment | 34.94 | 26.39 | 31 | 1620 | 110197 | 42509487 |
| Cardiac failure | 31.79 | 26.39 | 29 | 1622 | 106827 | 42512857 |
| 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 |
|---|---|---|---|---|---|---|
| Cerebral infarction | 120.45 | 24.86 | 49 | 3375 | 51789 | 110534086 |
| Interstitial lung disease | 79.60 | 24.86 | 51 | 3373 | 139283 | 110446592 |
| Renal impairment | 79.14 | 24.86 | 57 | 3367 | 188388 | 110397487 |
| Altered state of consciousness | 59.42 | 24.86 | 31 | 3393 | 57595 | 110528280 |
| Hepatic function abnormal | 59.32 | 24.86 | 36 | 3388 | 89259 | 110496616 |
| Cardiac failure | 57.32 | 24.86 | 47 | 3377 | 187579 | 110398296 |
| Inappropriate antidiuretic hormone secretion | 55.43 | 24.86 | 25 | 3399 | 33826 | 110552049 |
| Prinzmetal angina | 54.96 | 24.86 | 13 | 3411 | 2256 | 110583619 |
| Blood pressure decreased | 44.14 | 24.86 | 33 | 3391 | 115058 | 110470817 |
| Platelet count decreased | 43.38 | 24.86 | 44 | 3380 | 230399 | 110355476 |
| Drug interaction | 27.90 | 24.86 | 53 | 3371 | 500130 | 110085745 |
| Erythema multiforme | 26.56 | 24.86 | 13 | 3411 | 21084 | 110564791 |
| Colon cancer | 26.45 | 24.86 | 12 | 3412 | 16431 | 110569444 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C08CA15 | CARDIOVASCULAR SYSTEM CALCIUM CHANNEL BLOCKERS SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS Dihydropyridine derivatives |
| MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.05 | Basic |
| pKa2 | 2.23 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ion channel | BLOCKER | IC50 | 5.31 | IUPHAR | SCIENTIFIC LITERATURE | |||
| Voltage-dependent T-type calcium channel subunit alpha-1H | Ion channel | BLOCKER | IC50 | 6.84 | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| D02045 | KEGG_DRUG |
| C0053108 | UMLSCUI |
| CHEBI:135806 | CHEBI |
| CHEMBL2074972 | ChEMBL_ID |
| DB09231 | DRUGBANK_ID |
| C061004 | MESH_SUPPLEMENTAL_RECORD_UI |
| 10159 | IUPHAR_LIGAND_ID |
| 6137 | INN_ID |
| 91599-74-5 | SECONDARY_CAS_RN |
| 4G9T91JS7E | UNII |
| 656668 | PUBCHEM_CID |
| 008170 | NDDF |
| 008171 | NDDF |
| 1303527004 | SNOMEDCT_US |
| 1303528009 | SNOMEDCT_US |
| C050883 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4G9T91JS7E | INXIGHT DRUGS |
None