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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3509 | 77-04-3 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.144 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.815 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 70.307 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.438 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 77.540 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 82.220 | % | High | 1 |
| herg | hERG pIC50 | 3.916 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.581 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 4.169 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 84.210 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP3K21,MAP3K7,MAPK7,MAPK9,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 38 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,EIF2AK3,GRK2,MAP2K6,STK33,TEK | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.094 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 8.730 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 78.290 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.858 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 77.010 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 4.315 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 94.350 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 71.990 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 398.107 | uM | High | 1 |
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| Source | Code | Description |
|---|---|---|
| ATC | N05CE03 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Piperidinedione derivatives |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.13 | acidic |
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| ID | Source |
|---|---|
| D07329 | KEGG_DRUG |
| C0072736 | UMLSCUI |
| CHEBI:94590 | CHEBI |
| CHEMBL1722501 | ChEMBL_ID |
| DB13331 | DRUGBANK_ID |
| 4994 | PUBCHEM_CID |
| 5022 | INN_ID |
| C005589 | MESH_SUPPLEMENTAL_RECORD_UI |
| 8AB20823CK | UNII |
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