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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1220 | 91503-79-6 |
None
| Property | Value | Reference |
|---|---|---|
| CL (Clearance) | 0.26 mL/min/kg | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
| BA (Bioavailability) | 92 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.410 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.579 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 13.868 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 481.948 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 0.650 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.680 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 5.058 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 1348.963 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 254.683 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 0.640 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EIF2AK3,GRK2,ITK,MAPK7,PDK1,PDK2,PDK4,PIK3CG,PRKDC | 15 | |||
| kinase-selectivity-class | AXL | 1 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.321 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1076.465 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.410 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.286 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 1.530 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 308.319 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 15.730 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 1.110 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 0.798 | uM | Moderate | 0.65 |
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 |
|---|---|---|---|---|---|---|
| Hepatic function abnormal | 62.25 | 41.65 | 18 | 404 | 46270 | 90581755 |
| 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 |
|---|---|---|---|---|---|---|
| Hepatic function abnormal | 40.37 | 36.05 | 16 | 394 | 51551 | 42569374 |
| 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 |
|---|---|---|---|---|---|---|
| Hepatic function abnormal | 94.57 | 36.27 | 34 | 965 | 89261 | 110499039 |
None
| Source | Code | Description |
|---|---|---|
| FDA CS | M0001335 | Anti-Inflammatory Agents, Non-Steroidal |
| FDA MoA | N0000000160 | Cyclooxygenase Inhibitors |
| 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 |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D016861 | Cyclooxygenase Inhibitors |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| 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 |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35544 | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
| FDA EPC | N0000175722 | Nonsteroidal Anti-inflammatory Drug |
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| ID | Source |
|---|---|
| D01475 | KEGG_DRUG |
| 4019154 | VANDF |
| C1610514 | UMLSCUI |
| CHEBI:31627 | CHEBI |
| FLP | PDB_CHEM_ID |
| DB14938 | DRUGBANK_ID |
| C504422 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3395 | PUBCHEM_CID |
| I0OU31PUI5 | UNII |
| 4502 | RXNORM |
| 4753 | MMSL |
| 72 | MMSL |
| d00239 | MMSL |
| 002382 | NDDF |
| 373506008 | SNOMEDCT_US |
| 54344006 | SNOMEDCT_US |
| C0016377 | UMLSCUI |
| DB00712 | DRUGBANK_ID |
| 3394 | PUBCHEM_CID |
| 3220 | INN_ID |
| D005480 | MESH_DESCRIPTOR_UI |
| CHEBI:5130 | CHEBI |
| I0OU31PUI5 | INXIGHT DRUGS |
None