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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2005 | 33996-33-7 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.579 | Moderate | 0.67 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.288 | Moderate | 0.67 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.300 | 10^-6 cm/s | Moderate | 0.67 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.312 | uL/min/10^6 cells | Moderate | 0.67 |
| dppb | Dog plasma protein binding (% unbound) | 77.460 | % | Moderate | 0.67 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 42.970 | % | Moderate | 0.67 |
| herg | hERG pIC50 | 4.656 | pIC50 | Moderate | 0.67 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.112 | uL/min/10^6 cells | Moderate | 0.67 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.443 | uL/min/mg protein | Moderate | 0.67 |
| hppb | Human plasma protein binding (% unbound) | 67.880 | % | Moderate | 0.67 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 39 | |||
| kinase-selectivity-class | ACVR2B,AXL,BMX,BRAF,CDK4,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK7,PIK3CD,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1 | 19 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.877 | Moderate | 0.67 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.638 | Moderate | 0.67 | |
| mppb | Mouse plasma protein binding (% unbound) | 84.030 | Moderate | 0.67 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.052 | Moderate | 0.67 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 79.920 | % | Moderate | 0.67 |
| rh-clint | Rat hepatocyte intrinsic clearance | 0.895 | uL/min/10^6 cells | Moderate | 0.67 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 73.360 | % | Moderate | 0.67 |
| rppb | Rat plasma protein binding (% unbound) | 87.600 | % | Moderate | 0.67 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 822.243 | uM | Moderate | 0.67 |
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| Source | Code | Description |
|---|---|---|
| ATC | D11AX09 | DERMATOLOGICALS OTHER DERMATOLOGICAL PREPARATIONS OTHER DERMATOLOGICAL PREPARATIONS Other dermatologicals |
| ATC | M01AX24 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
| MeSH PA | D003879 | Dermatologic Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drug |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Osteoarthritis | indication | 396275006 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.67 | acidic |
| pKa2 | 13.57 | acidic |
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| ID | Source |
|---|---|
| D07215 | KEGG_DRUG |
| C0064164 | UMLSCUI |
| CHEBI:233149 | CHEBI |
| CHEMBL1407356 | ChEMBL_ID |
| DB13363 | DRUGBANK_ID |
| 65784 | PUBCHEM_CID |
| 3891 | INN_ID |
| C012393 | MESH_SUPPLEMENTAL_RECORD_UI |
| Q0XV76B96L | UNII |
| 28068 | RXNORM |
| 006313 | NDDF |
| 713480005 | SNOMEDCT_US |
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