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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, isoxicam derivatives | 1609 | 70374-39-9 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 12 | mg | O |
| 12 | mg | P |
| 12 | mg | R |
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.14 L/kg | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| BA (Bioavailability) | 100 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.349 | Moderate | 0.69 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 9.099 | Moderate | 0.69 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 86.696 | 10^-6 cm/s | Moderate | 0.69 |
| dh-clint | Dog hepatocyte intrinsic clearance | 7.621 | uL/min/10^6 cells | Moderate | 0.69 |
| dppb | Dog plasma protein binding (% unbound) | 1.580 | % | Moderate | 0.69 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 1.390 | % | Moderate | 0.69 |
| herg | hERG pIC50 | 4.451 | pIC50 | Moderate | 0.69 |
| hh-clint | Human hepatocyte intrinsic clearance | 10.940 | uL/min/10^6 cells | Moderate | 0.69 |
| hlm-clint | Human liver microsomal intrinsic clearance | 6.486 | uL/min/mg protein | Moderate | 0.69 |
| hppb | Human plasma protein binding (% unbound) | 0.310 | % | Moderate | 0.69 |
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 54 | |||
| kinase-selectivity-class | ACVR2A,AURKB,AURKC,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,ERBB2,GRK2,MAP2K3,MAP2K6,MAPK12,MAPK7,MARK4,PRKDC,SIK2,STK33,SYK,TEK,TTK | 22 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 12.972 | Moderate | 0.69 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 12.050 | Moderate | 0.69 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.620 | Moderate | 0.69 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.948 | Moderate | 0.69 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.66 | |
| pppb | Pig plasma protein binding (% unbound) | 1.030 | % | Moderate | 0.69 |
| rh-clint | Rat hepatocyte intrinsic clearance | 14.322 | uL/min/10^6 cells | Moderate | 0.69 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 73.320 | % | Moderate | 0.69 |
| rppb | Rat plasma protein binding (% unbound) | 0.350 | % | Moderate | 0.69 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 734.514 | uM | Moderate | 0.69 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Angioedema | 67.53 | 52.36 | 21 | 429 | 64855 | 90563142 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Anorgasmia | 56.21 | 44.16 | 10 | 891 | 1636 | 110586762 |
| Drug interaction | 49.31 | 44.16 | 37 | 864 | 500146 | 110088252 |
| Angioedema | 45.32 | 44.16 | 20 | 881 | 98480 | 110489918 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AC05 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Oxicams |
| 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:35480 | analgesic |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35493 | antipyretic |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pain | indication | 22253000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.98 | acidic |
| pKa2 | 8.43 | acidic |
| pKa3 | 5.18 | Basic |
None
None
None
| ID | Source |
|---|---|
| D01866 | KEGG_DRUG |
| C0055477 | UMLSCUI |
| CHEBI:31783 | CHEBI |
| CHEMBL1569487 | ChEMBL_ID |
| DB06725 | DRUGBANK_ID |
| C059451 | MESH_SUPPLEMENTAL_RECORD_UI |
| 54690031 | PUBCHEM_CID |
| 6233 | INN_ID |
| ER09126G7A | UNII |
| 20890 | RXNORM |
| 007785 | NDDF |
| 391655005 | SNOMEDCT_US |
| 412013008 | SNOMEDCT_US |
| ER09126G7A | INXIGHT DRUGS |
None