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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 3309 | 27523-40-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
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| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.884 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.918 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 36.308 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 54.450 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.180 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.750 | % | High | 1 |
| herg | hERG pIC50 | 5.808 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 102.094 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 286.418 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.370 | % | High | 1 |
| 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,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 49 | |||
| kinase-selectivity-class | AKT3,AXL,BRAF,EIF2AK3,EPHB4,ERBB2,GRK2,MAPK7,PDK4,PIK3CB,PIK3CD,SIK2,SIK3 | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.735 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 140.929 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.190 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.917 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.900 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 187.499 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 3.310 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.190 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 12.589 | uM | High | 1 |
None
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 |
|---|---|---|---|---|---|---|
| Fungal infection | 18.88 | 18.04 | 3 | 3 | 19719 | 42601610 |
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D01AC05 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
| ATC | G01AF07 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Imidazole derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.49 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | Enzyme | Ki | 6.21 | CHEMBL | |||||
| Indoleamine 2,3-dioxygenase 1 | Enzyme | IC50 | 4.64 | CHEMBL |
| ID | Source |
|---|---|
| D01480 | KEGG_DRUG |
| C0063953 | UMLSCUI |
| CHEBI:82865 | CHEBI |
| CHEMBL1571863 | ChEMBL_ID |
| DB08943 | DRUGBANK_ID |
| C020382 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3760 | PUBCHEM_CID |
| 3505 | INN_ID |
| 24168-96-5 | SECONDARY_CAS_RN |
| GRI7WFR424 | UNII |
| 203157 | RXNORM |
| 003740 | NDDF |
| 003986 | NDDF |
| 350201001 | SNOMEDCT_US |
| 418371001 | SNOMEDCT_US |
| 712726005 | SNOMEDCT_US |
None