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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1325 | 1405-86-3 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.06 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.13 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 8.83 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.662 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 6.109 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.953 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.075 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 11.960 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 26.820 | % | High | 1 |
| herg | hERG pIC50 | 4.577 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.294 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.105 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 14.860 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PRKDC,SYK,TEK,TGFBR1 | 23 | |||
| kinase-selectivity-class | GRK2,MAP2K6 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.211 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 6.166 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 19.930 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.942 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 13.220 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 4.898 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 82.780 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 17.580 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 972.747 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
None
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 | 59.82 | 50.85 | 19 | 368 | 89276 | 110499636 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A05BA08 | ALIMENTARY TRACT AND METABOLISM BILE AND LIVER THERAPY LIVER THERAPY, LIPOTROPICS Liver therapy |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:65232 | EC 3.4.21.5 (thrombin) inhibitor |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.84 | acidic |
| pKa2 | 3.48 | acidic |
| pKa3 | 4.89 | acidic |
| pKa4 | 10.8 | acidic |
| pKa5 | 11.96 | acidic |
| pKa6 | 12.18 | acidic |
| pKa7 | 12.79 | acidic |
| pKa8 | 13.33 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Corticosteroid 11-beta-dehydrogenase isozyme 2 | Enzyme | IC50 | 9.40 | CHEMBL | |||||
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Enzyme | IC50 | 8.22 | CHEMBL | |||||
| High mobility group protein B1 | Nuclear other | Kd | 4.06 | CHEMBL | |||||
| Beta-glucuronidase | Enzyme | IC50 | 4.01 | CHEMBL | |||||
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Enzyme | IC50 | 8.52 | CHEMBL | |||||
| Beta-glucuronidase | Enzyme | IC50 | 4.92 | CHEMBL |
| ID | Source |
|---|---|
| N0000166344 | NUI |
| D00157 | KEGG_DRUG |
| 68797-35-3 | SECONDARY_CAS_RN |
| C0061751 | UMLSCUI |
| CHEBI:15939 | CHEBI |
| CHEMBL441687 | ChEMBL_ID |
| CHEMBL1927953 | ChEMBL_ID |
| CHEMBL1923952 | ChEMBL_ID |
| D019695 | MESH_DESCRIPTOR_UI |
| DB13751 | DRUGBANK_ID |
| 14982 | PUBCHEM_CID |
| 1367264 | RXNORM |
| 008271 | NDDF |
| 715362002 | SNOMEDCT_US |
| 4688 | IUPHAR_LIGAND_ID |
| 6FO62043WK | UNII |
| 6FO62043WK | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| BAMBOO SALT Eunganggo Jook Yeom Toothpaste | HUMAN OTC DRUG LABEL | 7 | 53208-459 | PASTE | 0.04 g | DENTAL | OTC monograph not final | 4 sections |
| BAMBOO SALT Eunganggo Jook Yeom | HUMAN OTC DRUG LABEL | 7 | 53208-505 | PASTE | 0.04 g | DENTAL | OTC monograph not final | 8 sections |
| YOUNGGAKSAN | HUMAN OTC DRUG LABEL | 4 | 72689-0021 | POWDER | 8.30 mg | ORAL | unapproved drug other | 7 sections |
| YOUNGGAKSAN | HUMAN OTC DRUG LABEL | 4 | 72689-0022 | POWDER | 8.30 mg | ORAL | unapproved drug other | 7 sections |
| YOUNGGAKSAN | HUMAN OTC DRUG LABEL | 4 | 72988-0019 | POWDER | 8.30 mg | ORAL | unapproved drug other | 7 sections |
| YOUNGGAKSAN | HUMAN OTC DRUG LABEL | 4 | 72988-0020 | POWDER | 8.30 mg | ORAL | unapproved drug other | 7 sections |
| THE SKIN HOUSE EGF COLLAGEN AMPOULE | HUMAN OTC DRUG LABEL | 1 | 73590-0019 | LIQUID | 0.10 g | TOPICAL | unapproved drug other | 7 sections |
| MELAO AFTER SHAVE COLOGNE | HUMAN OTC DRUG LABEL | 1 | 74458-454 | SPRAY | 0.50 g | TOPICAL | OTC Monograph Drug | 11 sections |
| BOP whiteningtoothpaste | HUMAN OTC DRUG LABEL | 2 | 82574-001 | GEL | 0.30 g | TOPICAL | unapproved drug other | 8 sections |
| Quick-Acting Wart Removal | HUMAN OTC DRUG LABEL | 4 | 83575-001 | LIQUID | 0.20 mg | CUTANEOUS | OTC monograph final | 12 sections |
| Hair GrowthShampoo | HUMAN OTC DRUG LABEL | 6 | 84148-026 | SHAMPOO | 0.10 g | CUTANEOUS | OTC Monograph Drug | 12 sections |