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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4734 | 70-10-0 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.531 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.783 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 76.384 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 20.749 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 2.740 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 5.550 | % | High | 1 |
| herg | hERG pIC50 | 4.220 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 19.454 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 27.353 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 1.900 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,IRAK1,ITK,JAK1,JAK2,MAP3K1,MAP3K10,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 57 | |||
| kinase-selectivity-class | ACVR2B,AXL,CDK9,DYRK1B,EIF2AK3,GRK2,MAP2K3,MAPK7,MARK4,PRKCZ,STK33,TEK,TTK | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.052 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 309.742 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 4.550 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.237 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 2.130 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 22.491 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 80.510 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 2.470 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 505.825 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | D01AE08 | DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Other antifungals for topical use |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.6 | acidic |
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| ID | Source |
|---|---|
| D06139 | KEGG_DRUG |
| CHEBI:136026 | CHEBI |
| CHEMBL2103914 | ChEMBL_ID |
| C000409 | MESH_SUPPLEMENTAL_RECORD_UI |
| DB13613 | DRUGBANK_ID |
| BHW384Q9GI | UNII |
| C0600823 | UMLSCUI |
| 2888 | INN_ID |
| 6258 | PUBCHEM_CID |
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