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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3091 | 3689-76-7 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.655 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.383 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 52.723 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 27.227 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 4.380 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 9.820 | % | High | 1 |
| herg | hERG pIC50 | 5.163 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 14.060 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 28.119 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.850 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,PDK4,STK33,TEK,TTK | 17 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.420 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 152.055 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.660 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.724 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 9.520 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 188.799 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 44.610 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 3.280 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 77.268 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | D01AC04 | 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 | 5.48 | Basic |
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| ID | Source |
|---|---|
| D02557 | KEGG_DRUG |
| C0055375 | UMLSCUI |
| CHEBI:135058 | CHEBI |
| CHEMBL152649 | ChEMBL_ID |
| DB13611 | DRUGBANK_ID |
| C006971 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71821 | PUBCHEM_CID |
| 1030 | INN_ID |
| 8IKK64FJVX | UNII |
| 015256 | NDDF |
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