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| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium channel blockers, nifedipine derivatives | 4099 | 103129-82-4 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.817 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 19.011 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.871 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 7.447 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 5.810 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 12.550 | % | High | 1 |
| herg | hERG pIC50 | 5.331 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.097 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 6.095 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 7.050 | % | High | 1 |
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,IGF1R,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 43 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,PDK4,PIK3CD | 5 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 15.066 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 27.164 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 5.070 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 51.404 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 11.180 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 37.325 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 21.090 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 7.730 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 48.529 | uM | High | 1 |
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| 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 urea increased | 44.90 | 33.58 | 16 | 724 | 54941 | 110533618 |
| Neutrophil count increased | 43.77 | 33.58 | 14 | 726 | 34638 | 110553921 |
| Lymphocyte count decreased | 40.54 | 33.58 | 15 | 725 | 57228 | 110531331 |
| Incision site pain | 33.73 | 33.58 | 7 | 733 | 3128 | 110585431 |
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| Source | Code | Description |
|---|---|---|
| ATC | C08CA17 | CARDIOVASCULAR SYSTEM CALCIUM CHANNEL BLOCKERS SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS Dihydropyridine derivatives |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.0 | Basic |
| pKa2 | 1.55 | Basic |
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| 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 |
| ID | Source |
|---|---|
| 736178-83-9 | SECONDARY_CAS_RN |
| 150566-71-5 | SECONDARY_CAS_RN |
| D08941 | KEGG_DRUG |
| 4039729 | VANDF |
| C2717539 | UMLSCUI |
| 6UB | PDB_CHEM_ID |
| CHEMBL2111097 | ChEMBL_ID |
| CHEMBL2107350 | ChEMBL_ID |
| DB09237 | DRUGBANK_ID |
| C542574 | MESH_SUPPLEMENTAL_RECORD_UI |
| C000711385 | MESH_SUPPLEMENTAL_RECORD_UI |
| 8835 | INN_ID |
| 0P6NLP6806 | UNII |
| 9822750 | PUBCHEM_CID |
| 2376944 | RXNORM |
| 360548 | MMSL |
| d08466 | MMSL |
| 018248 | NDDF |
| 1217308000 | SNOMEDCT_US |
| 1217324004 | SNOMEDCT_US |
| 1217325003 | SNOMEDCT_US |
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