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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 370 | 60628-96-8 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.745 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.403 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 16.406 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 19.275 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.090 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.550 | % | High | 1 |
| herg | hERG pIC50 | 5.532 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 20.606 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 40.832 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.160 | % | High | 1 |
| kinase-safety-class | ACVR2B,AKT2,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,TEK,TGFBR1 | 30 | |||
| kinase-selectivity-class | MAP2K6 | 1 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.630 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 61.376 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| mppb | Mouse plasma protein binding (% unbound) | 0.140 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.297 | High | 1 | |
| pppb | Pig plasma protein binding (% unbound) | 0.470 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 56.364 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 1.510 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.160 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.297 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | D01AC10 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
| ATC | D01AC60 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.84 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | Enzyme | IC50 | 6.10 | CHEMBL | |||||
| Steroid 17-alpha-hydroxylase/17,20 lyase | Enzyme | Ki | 7.25 | CHEMBL | |||||
| Lanosterol 14-alpha demethylase | Enzyme | IC50 | 6.47 | CHEMBL | |||||
| Indoleamine 2,3-dioxygenase 1 | Enzyme | IC50 | 4.64 | CHEMBL |
| ID | Source |
|---|---|
| D01775 | KEGG_DRUG |
| 19295 | RXNORM |
| C0053570 | UMLSCUI |
| CHEBI:31286 | CHEBI |
| TMI | PDB_CHEM_ID |
| CHEMBL277535 | ChEMBL_ID |
| DB04794 | DRUGBANK_ID |
| C036596 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2378 | PUBCHEM_CID |
| 4887 | INN_ID |
| QYJ305Z91O | UNII |
| 136216003 | SNOMEDCT_US |
| 396036005 | SNOMEDCT_US |
| 004316 | NDDF |
| QYJ305Z91O | INXIGHT DRUGS |
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