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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 1203 | 66934-18-7 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.663 | Moderate | 0.78 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.510 | Moderate | 0.78 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 132.130 | 10^-6 cm/s | Moderate | 0.78 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.466 | uL/min/10^6 cells | Moderate | 0.78 |
| dppb | Dog plasma protein binding (% unbound) | 1.360 | % | Moderate | 0.78 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 3.480 | % | Moderate | 0.78 |
| herg | hERG pIC50 | 4.283 | pIC50 | Moderate | 0.78 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.403 | uL/min/10^6 cells | Moderate | 0.78 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.090 | uL/min/mg protein | Moderate | 0.78 |
| hppb | Human plasma protein binding (% unbound) | 0.920 | % | Moderate | 0.78 |
| kinase-safety-class | ACVR2B,AXL,EIF2AK3,GRK2,MAPK7,PDK1,PDK2,PDK4,PIK3CG,PRKDC,TGFBR1 | 11 | |||
| kinase-selectivity-class | ACVR2B,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 7.798 | Moderate | 0.78 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 8.453 | Moderate | 0.78 | |
| mppb | Mouse plasma protein binding (% unbound) | 5.660 | Moderate | 0.78 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.798 | Moderate | 0.78 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 2.600 | % | Moderate | 0.78 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.641 | uL/min/10^6 cells | Moderate | 0.78 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 75.420 | % | Moderate | 0.78 |
| rppb | Rat plasma protein binding (% unbound) | 0.940 | % | Moderate | 0.78 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 922.571 | uM | Moderate | 0.78 |
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| Source | Code | Description |
|---|---|---|
| ATC | G02CC04 | GENITO URINARY SYSTEM AND SEX HORMONES OTHER GYNECOLOGICALS OTHER GYNECOLOGICALS Antiinflammatory products for vaginal administration |
| ATC | M01AE15 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| 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:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:50908 | hepatotoxic agent |
| CHEBI has role | CHEBI:64018 | protein kinase C agonist |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.05 | acidic |
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| ID | Source |
|---|---|
| D07219 | KEGG_DRUG |
| C0060504 | UMLSCUI |
| CHEBI:76154 | CHEBI |
| CHEMBL1614641 | ChEMBL_ID |
| DB13317 | DRUGBANK_ID |
| C045356 | MESH_SUPPLEMENTAL_RECORD_UI |
| 68869 | PUBCHEM_CID |
| 4870 | INN_ID |
| UKU5U19W9M | UNII |
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