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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 919 | 51484-40-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.232 | Moderate | 0.70 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.575 | Moderate | 0.70 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 35.075 | 10^-6 cm/s | Moderate | 0.70 |
| dh-clint | Dog hepatocyte intrinsic clearance | 52.966 | uL/min/10^6 cells | Moderate | 0.70 |
| dppb | Dog plasma protein binding (% unbound) | 0.390 | % | Moderate | 0.70 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 1.160 | % | Moderate | 0.70 |
| herg | hERG pIC50 | 4.717 | pIC50 | Moderate | 0.70 |
| hh-clint | Human hepatocyte intrinsic clearance | 111.173 | uL/min/10^6 cells | Moderate | 0.70 |
| hlm-clint | Human liver microsomal intrinsic clearance | 73.114 | uL/min/mg protein | Moderate | 0.70 |
| hppb | Human plasma protein binding (% unbound) | 0.350 | % | Moderate | 0.70 |
| kinase-safety-class | ACVR2B,ALK,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP3K1,MAP3K21,MAPK7,MAPK9,MAPKAPK2,MARK4,PDK1,PDK2,PDK4,PIK3CG,PRKDC,SIK2,SIK3,STK33,TTK | 32 | |||
| kinase-selectivity-class | AXL,MAP3K21 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.302 | Moderate | 0.70 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 242.103 | Moderate | 0.70 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.550 | Moderate | 0.70 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.302 | Moderate | 0.70 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 1.520 | % | Moderate | 0.70 |
| rh-clint | Rat hepatocyte intrinsic clearance | 266.686 | uL/min/10^6 cells | Moderate | 0.70 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 7.010 | % | Moderate | 0.70 |
| rppb | Rat plasma protein binding (% unbound) | 0.420 | % | Moderate | 0.70 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.081 | uM | Moderate | 0.70 |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AB12 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Acetic acid derivatives and related substances |
| 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 |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35493 | antipyretic |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.27 | acidic |
| pKa2 | 3.77 | Basic |
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| ID | Source |
|---|---|
| C0057982 | UMLSCUI |
| CHEMBL1489662 | ChEMBL_ID |
| DB13371 | DRUGBANK_ID |
| C015136 | MESH_SUPPLEMENTAL_RECORD_UI |
| Q6U5F6E1QL | UNII |
| 100472 | PUBCHEM_CID |
| CHEBI:76130 | CHEBI |
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