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| Stem definition | Drug id | CAS RN |
|---|---|---|
| brominated salicylamide derivatives disinfectant | 3040 | 3679-64-9 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.303 | Moderate | 0.66 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.422 | Moderate | 0.66 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 19.011 | 10^-6 cm/s | Moderate | 0.66 |
| dh-clint | Dog hepatocyte intrinsic clearance | 82.604 | uL/min/10^6 cells | Moderate | 0.66 |
| dppb | Dog plasma protein binding (% unbound) | 0.140 | % | Moderate | 0.66 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.170 | % | Moderate | 0.66 |
| herg | hERG pIC50 | 4.676 | pIC50 | Moderate | 0.66 |
| hh-clint | Human hepatocyte intrinsic clearance | 332.660 | uL/min/10^6 cells | Moderate | 0.66 |
| hlm-clint | Human liver microsomal intrinsic clearance | 49.091 | uL/min/mg protein | Moderate | 0.66 |
| hppb | Human plasma protein binding (% unbound) | 0.320 | % | Moderate | 0.66 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK19,CDK2,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FGFR1,FLT3,GRK1,GRK2,GRK3,GSK3A,GSK3B,IKBKB,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PIM3,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2 | 83 | |||
| kinase-selectivity-class | ACVR2B,DYRK1B,GRK2,PDK4,TTK | 5 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.962 | Moderate | 0.66 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 373.250 | Moderate | 0.66 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.180 | Moderate | 0.66 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.165 | Moderate | 0.66 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.260 | % | Moderate | 0.66 |
| rh-clint | Rat hepatocyte intrinsic clearance | 374.973 | uL/min/10^6 cells | Moderate | 0.66 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 3.120 | % | Moderate | 0.66 |
| rppb | Rat plasma protein binding (% unbound) | 0.170 | % | Moderate | 0.66 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 2.051 | uM | Moderate | 0.66 |
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| Source | Code | Description |
|---|---|---|
| ATC | D01AE01 | 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 | 6.26 | acidic |
| pKa2 | 10.05 | acidic |
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| ID | Source |
|---|---|
| C0770939 | UMLSCUI |
| CHEBI:135394 | CHEBI |
| CHEMBL153192 | ChEMBL_ID |
| DB13696 | DRUGBANK_ID |
| 6GK715PWMQ | UNII |
| 77254 | PUBCHEM_CID |
| 003719 | NDDF |
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