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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 1166 | 72479-26-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.856 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.510 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.594 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 15.488 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.070 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.100 | % | High | 1 |
| herg | hERG pIC50 | 5.334 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 15.668 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 53.703 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.260 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,EIF2AK3,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,STK33,TEK,TTK | 35 | |||
| kinase-selectivity-class | ERBB2,GRK2,PDK4 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.426 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 42.462 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.150 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.615 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.150 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 21.086 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 0.220 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.140 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 0.356 | uM | High | 1 |
None
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| Source | Code | Description |
|---|---|---|
| ATC | D01AC12 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
| ATC | G01AF12 | 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 |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Candidal vulvovaginitis | indication | 72605008 | DOID:2272 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.49 | Basic |
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| ID | Source |
|---|---|
| D02582 | KEGG_DRUG |
| 73151-29-8 | SECONDARY_CAS_RN |
| C0060203 | UMLSCUI |
| CHEBI:82863 | CHEBI |
| CHEMBL1651990 | ChEMBL_ID |
| CHEMBL2107703 | ChEMBL_ID |
| DB13434 | DRUGBANK_ID |
| C033486 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4875 | INN_ID |
| QG05NRB077 | UNII |
| 51755 | PUBCHEM_CID |
| 236229 | RXNORM |
| 005463 | NDDF |
| 005485 | NDDF |
| 326274003 | SNOMEDCT_US |
| 396054009 | SNOMEDCT_US |
| 419234006 | SNOMEDCT_US |
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