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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1168 | 36981-91-6 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.411 | Moderate | 0.68 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.729 | Moderate | 0.68 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 5.383 | 10^-6 cm/s | Moderate | 0.68 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.012 | uL/min/10^6 cells | Moderate | 0.68 |
| dppb | Dog plasma protein binding (% unbound) | 80.180 | % | Moderate | 0.68 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 75.510 | % | Moderate | 0.68 |
| herg | hERG pIC50 | 4.251 | pIC50 | Moderate | 0.68 |
| hh-clint | Human hepatocyte intrinsic clearance | 4.064 | uL/min/10^6 cells | Moderate | 0.68 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.681 | uL/min/mg protein | Moderate | 0.68 |
| hppb | Human plasma protein binding (% unbound) | 86.560 | % | Moderate | 0.68 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,MAP3K21,MAP3K7,MAPK7,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,SYK,TEK,TGFBR1,ZAP70 | 33 | |||
| kinase-selectivity-class | AXL,CDK4,GRK2,PDK4 | 4 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.507 | Moderate | 0.68 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 28.642 | Moderate | 0.68 | |
| mppb | Mouse plasma protein binding (% unbound) | 88.400 | Moderate | 0.68 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.600 | Moderate | 0.68 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 77.580 | % | Moderate | 0.68 |
| rh-clint | Rat hepatocyte intrinsic clearance | 40.832 | uL/min/10^6 cells | Moderate | 0.68 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 92.290 | % | Moderate | 0.68 |
| rppb | Rat plasma protein binding (% unbound) | 81.740 | % | Moderate | 0.68 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 926.830 | uM | Moderate | 0.68 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.99 | Basic |
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| ID | Source |
|---|---|
| D07954 | KEGG_DRUG |
| 67704-50-1 | SECONDARY_CAS_RN |
| C0211039 | UMLSCUI |
| CHEBI:134878 | CHEBI |
| CHEMBL2106269 | ChEMBL_ID |
| DB15902 | DRUGBANK_ID |
| 68819 | PUBCHEM_CID |
| C078462 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5456 | INN_ID |
| 860MHI4WBA | UNII |
| 717097006 | SNOMEDCT_US |
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