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| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium channel blockers, nifedipine derivatives | 1532 | 103890-78-4 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 4 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 18 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKDC,STK33,TEK,TTK,ZAP70 | 40 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,PDK4,PIK3CD,STK33 | 6 | |||
| 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 |
|---|---|---|---|---|---|---|
| Lower urinary tract symptoms | 54.36 | 35.20 | 7 | 865 | 107 | 90627468 |
| 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 |
|---|---|---|---|---|---|---|
| Procalcitonin abnormal | 70.33 | 30.82 | 12 | 1353 | 383 | 42619587 |
| Encephalomalacia | 58.49 | 30.82 | 12 | 1353 | 1049 | 42618921 |
| Lymphocyte count increased | 56.42 | 30.82 | 15 | 1350 | 4049 | 42615921 |
| PO2 decreased | 53.28 | 30.82 | 12 | 1353 | 1629 | 42618341 |
| PCO2 decreased | 52.21 | 30.82 | 12 | 1353 | 1782 | 42618188 |
| Acquired macroglossia | 46.26 | 30.82 | 6 | 1359 | 25 | 42619945 |
| Device related sepsis | 43.00 | 30.82 | 12 | 1353 | 3875 | 42616095 |
| Monocyte count increased | 38.47 | 30.82 | 12 | 1353 | 5682 | 42614288 |
| Drug interaction | 35.44 | 30.82 | 43 | 1322 | 266956 | 42353014 |
| Procedural haemorrhage | 32.47 | 30.82 | 9 | 1356 | 2832 | 42617138 |
| 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 |
|---|---|---|---|---|---|---|
| Procalcitonin abnormal | 75.42 | 26.16 | 12 | 2220 | 397 | 110586670 |
| Encephalomalacia | 59.84 | 26.16 | 12 | 2220 | 1490 | 110585577 |
| Lymphocyte count increased | 59.42 | 26.16 | 16 | 2216 | 7187 | 110579880 |
| PO2 decreased | 50.99 | 26.16 | 12 | 2220 | 3136 | 110583931 |
| PCO2 decreased | 50.94 | 26.16 | 12 | 2220 | 3149 | 110583918 |
| Drug interaction | 48.79 | 26.16 | 55 | 2177 | 500128 | 110086939 |
| International normalised ratio increased | 48.75 | 26.16 | 27 | 2205 | 86745 | 110500322 |
| Device related sepsis | 40.43 | 26.16 | 12 | 2220 | 7635 | 110579432 |
| Lower urinary tract symptoms | 38.73 | 26.16 | 7 | 2225 | 499 | 110586568 |
| Acquired macroglossia | 36.08 | 26.16 | 6 | 2226 | 262 | 110586805 |
| Scrotal oedema | 35.75 | 26.16 | 8 | 2224 | 1673 | 110585394 |
| Monocyte count increased | 33.91 | 26.16 | 12 | 2220 | 13281 | 110573786 |
| Procedural haemorrhage | 30.81 | 26.16 | 9 | 2223 | 5418 | 110581649 |
| Attention deficit hyperactivity disorder | 27.95 | 26.16 | 8 | 2224 | 4483 | 110582584 |
| Melaena | 27.04 | 26.16 | 17 | 2215 | 68740 | 110518327 |
| Splenomegaly | 26.80 | 26.16 | 12 | 2220 | 24486 | 110562581 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C08CA09 | 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 | D000959 | Antihypertensive Agents |
| MeSH PA | D002121 | Calcium Channel Blockers |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D049990 | Membrane Transport Modulators |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 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 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.25 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 5.68 | DRUG MATRIX | |||||
| Adenosine receptor A3 | GPCR | Ki | 5.64 | DRUG MATRIX | |||||
| Cytochrome P450 3A4 | Enzyme | IC50 | 6.05 | DRUG MATRIX | |||||
| Cytochrome P450 2C19 | Enzyme | IC50 | 5.70 | DRUG MATRIX | |||||
| Thromboxane-A synthase | Enzyme | IC50 | 5.77 | DRUG MATRIX | |||||
| Cytochrome P450 2C9 | Enzyme | IC50 | 5.70 | DRUG MATRIX | |||||
| Androgen receptor | Transcription factor | Ki | 5.58 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4025250 | VUID |
| N0000179165 | NUI |
| D04657 | KEGG_DRUG |
| 4025250 | VANDF |
| C0064568 | UMLSCUI |
| CHEBI:135737 | CHEBI |
| CHEMBL460291 | ChEMBL_ID |
| DB09236 | DRUGBANK_ID |
| C060285 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11740 | IUPHAR_LIGAND_ID |
| 6093 | INN_ID |
| 260080034N | UNII |
| 5311217 | PUBCHEM_CID |
| 28382 | RXNORM |
| 004453 | NDDF |
| 319299000 | SNOMEDCT_US |
| 395764001 | SNOMEDCT_US |
None