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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory analgesics, phenylbutazone derivatives | 1522 | 853-34-9 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.381 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.559 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 47.315 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.130 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 9.780 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 7.890 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.408 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.294 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.192 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 5.420 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,MARK4,MET,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 43 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 5.572 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 9.419 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 15.430 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.655 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 8.750 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 2.275 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 89.160 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 4.060 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 968.278 | uM | Moderate | 0.65 |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AA06 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Butylpyrazolidines |
| 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 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.38 | acidic |
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| ID | Source |
|---|---|
| D01567 | KEGG_DRUG |
| C0064324 | UMLSCUI |
| CHEBI:31749 | CHEBI |
| CHEMBL2107720 | ChEMBL_ID |
| DB08940 | DRUGBANK_ID |
| C100280 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3824 | PUBCHEM_CID |
| 2444 | INN_ID |
| 4VD83UL6Y6 | UNII |
| 28198 | RXNORM |
| 004197 | NDDF |
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