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| Stem definition | Drug id | CAS RN |
|---|---|---|
| systemic antifungal agents, miconazole derivatives | 978 | 128326-82-9 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.664 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.671 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 57.280 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.054 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 1.900 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 4.890 | % | High | 1 |
| herg | hERG pIC50 | 5.154 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 5.861 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 19.999 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.070 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,STK33,TEK,TGFBR1,TTK | 37 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6,PIK3CB,PIK3CD | 5 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.351 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 21.380 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 2.410 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.592 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 4.010 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 20.137 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 20.940 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 2.530 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 80.168 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | D01AC17 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Imidazole and triazole derivatives |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.95 | Basic |
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| ID | Source |
|---|---|
| D07882 | KEGG_DRUG |
| CHEBI:82862 | CHEBI |
| CHEMBL558722 | ChEMBL_ID |
| C118963 | MESH_SUPPLEMENTAL_RECORD_UI |
| DB13656 | DRUGBANK_ID |
| V7O1U41C9B | UNII |
| 018073 | NDDF |
| 018074 | NDDF |
| 1187438001 | SNOMEDCT_US |
| 1187439009 | SNOMEDCT_US |
| 702797004 | SNOMEDCT_US |
| C0767000 | UMLSCUI |
| 6680 | INN_ID |
| 72051 | PUBCHEM_CID |
| 130104-32-4 | SECONDARY_CAS_RN |
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