Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 611 | 773-76-2 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 89 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.238 | Moderate | 0.74 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.296 | Moderate | 0.74 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 41.115 | 10^-6 cm/s | Moderate | 0.74 |
| dh-clint | Dog hepatocyte intrinsic clearance | 216.272 | uL/min/10^6 cells | Moderate | 0.74 |
| dppb | Dog plasma protein binding (% unbound) | 0.440 | % | Moderate | 0.74 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.900 | % | Moderate | 0.74 |
| herg | hERG pIC50 | 4.470 | pIC50 | Moderate | 0.74 |
| hh-clint | Human hepatocyte intrinsic clearance | 132.130 | uL/min/10^6 cells | Moderate | 0.74 |
| hlm-clint | Human liver microsomal intrinsic clearance | 26.915 | uL/min/mg protein | Moderate | 0.74 |
| hppb | Human plasma protein binding (% unbound) | 0.520 | % | Moderate | 0.74 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GSK3B,IKBKB,ITK,JAK2,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 49 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EIF2AK3,GRK2,PDK4,PIK3CB,PIK3CD | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.308 | Moderate | 0.74 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 576.766 | Moderate | 0.74 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.100 | Moderate | 0.74 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.092 | Moderate | 0.74 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.760 | % | Moderate | 0.74 |
| rh-clint | Rat hepatocyte intrinsic clearance | 236.592 | uL/min/10^6 cells | Moderate | 0.74 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 24.360 | % | Moderate | 0.74 |
| rppb | Rat plasma protein binding (% unbound) | 0.440 | % | Moderate | 0.74 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 8.279 | uM | Moderate | 0.74 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 19, 1976 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000935 | Antifungal Agents |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:59010 | antiseborrheic |
| CHEBI has role | CHEBI:86327 | antifungal drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Seborrheic dermatitis | indication | 50563003 | DOID:8741 |
| Pityriasis simplex | indication | 200767005 | |
| Denuded skin | contraindication | 418242004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.75 | acidic |
| pKa2 | 2.74 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 5.44 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.62 | CHEMBL | |||||
| Arachidonate 12-lipoxygenase, 12S-type | Enzyme | IC50 | 5.72 | CHEMBL | |||||
| Matrix metalloproteinase-14 | Enzyme | Kd | 5.62 | CHEMBL | |||||
| Matrix metalloproteinase-9 | Enzyme | IC50 | 4.80 | CHEMBL | |||||
| Collagenase 3 | Enzyme | IC50 | 4.71 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase, type II | Enzyme | IC50 | 4.55 | CHEMBL | |||||
| Botulinum neurotoxin type A | Enzyme | IC50 | 4.94 | CHEMBL | |||||
| Beta-lactamase NDM-1 | Enzyme | IC50 | 5.31 | CHEMBL | |||||
| Replicase polyprotein 1ab | Enzyme | Kd | 5.34 | CHEMBL |
| ID | Source |
|---|---|
| 4018664 | VUID |
| N0000146975 | NUI |
| D03472 | KEGG_DRUG |
| 20875 | RXNORM |
| C0055461 | UMLSCUI |
| CHEMBL1200596 | ChEMBL_ID |
| DB01243 | DRUGBANK_ID |
| CHEMBL3833358 | ChEMBL_ID |
| 2722 | PUBCHEM_CID |
| C004357 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2I8BD50I8B | UNII |
| 4422 | MMSL |
| 003147 | NDDF |
| 126148000 | SNOMEDCT_US |
| 424004006 | SNOMEDCT_US |
| 4018664 | VANDF |
None