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 |
|---|---|---|
| antivirals | 3582 | 119567-79-2 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.606 | Moderate | 0.79 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 7.295 | Moderate | 0.79 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.573 | 10^-6 cm/s | Moderate | 0.79 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.189 | uL/min/10^6 cells | Moderate | 0.79 |
| dppb | Dog plasma protein binding (% unbound) | 87.700 | % | Moderate | 0.79 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 82.120 | % | Moderate | 0.79 |
| herg | hERG pIC50 | 3.784 | pIC50 | Moderate | 0.79 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.072 | uL/min/10^6 cells | Moderate | 0.79 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.404 | uL/min/mg protein | Moderate | 0.79 |
| hppb | Human plasma protein binding (% unbound) | 60.600 | % | Moderate | 0.79 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PRKDC,TEK | 21 | |||
| kinase-selectivity-class | CHUK,MAP2K6,PDK1 | 3 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.585 | Moderate | 0.79 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.901 | Moderate | 0.79 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 0.692 | Moderate | 0.79 | |
| mppb | Mouse plasma protein binding (% unbound) | 92.010 | Moderate | 0.79 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.051 | Moderate | 0.79 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.79 | |
| pppb | Pig plasma protein binding (% unbound) | 93.270 | % | Moderate | 0.79 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.79 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.718 | uL/min/10^6 cells | Moderate | 0.79 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 95.780 | % | Moderate | 0.79 |
| rppb | Rat plasma protein binding (% unbound) | 92.190 | % | Moderate | 0.79 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 849.180 | uM | Moderate | 0.79 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000998 | Antiviral Agents |
| CHEBI has role | CHEBI:22587 | antiviral agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.07 | acidic |
| pKa2 | 13.44 | acidic |
| pKa3 | 9.07 | Basic |
| pKa4 | 3.4 | Basic |
None
None
None
| ID | Source |
|---|---|
| D06651 | KEGG_DRUG |
| 40372-00-7 | SECONDARY_CAS_RN |
| C0073221 | UMLSCUI |
| CHEBI:134989 | CHEBI |
| CHEMBL2111108 | ChEMBL_ID |
| DB06408 | DRUGBANK_ID |
| CHEMBL2107375 | ChEMBL_ID |
| C026956 | MESH_SUPPLEMENTAL_RECORD_UI |
| 451448 | PUBCHEM_CID |
| 8619 | INN_ID |
| R3B1994K2E | UNII |
| R1Y | PDB_CHEM_ID |
None