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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1543 | 17575-22-3 |
| Dose | Unit | Route |
|---|---|---|
| 1 | mg | O |
| 1 | mg | R |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.666 | High | 0.83 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 29.992 | High | 0.83 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 1.923 | 10^-6 cm/s | High | 0.83 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.517 | uL/min/10^6 cells | High | 0.83 |
| dppb | Dog plasma protein binding (% unbound) | 70.670 | % | High | 0.83 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 59.720 | % | High | 0.83 |
| herg | hERG pIC50 | 4.262 | pIC50 | High | 0.83 |
| hh-clint | Human hepatocyte intrinsic clearance | 0.977 | uL/min/10^6 cells | High | 0.83 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.396 | uL/min/mg protein | High | 0.83 |
| hppb | Human plasma protein binding (% unbound) | 70.100 | % | High | 0.83 |
| kinase-safety-class | ACVR2B,CAMK2D,CDK5,EIF2AK3,GRK2,ITK,MAP2K6,MAPK10,NTRK2,PDK1,PDK2,PDK4,PRKDC | 13 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.282 | Moderate | 0.73 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 10.544 | High | 0.83 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.350 | High | 0.83 | |
| mppb | Mouse plasma protein binding (% unbound) | 55.960 | High | 0.83 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 14.388 | High | 0.83 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | Moderate | 0.73 | |
| pppb | Pig plasma protein binding (% unbound) | 67.120 | % | High | 0.83 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.73 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.545 | uL/min/10^6 cells | High | 0.83 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 81.850 | % | High | 0.83 |
| rppb | Rat plasma protein binding (% unbound) | 57.710 | % | High | 0.83 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 851.138 | uM | High | 0.83 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | C01AA06 | CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC GLYCOSIDES Digitalis glycosides |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.62 | acidic |
| pKa2 | 13.9 | acidic |
None
None
None
| ID | Source |
|---|---|
| D01972 | KEGG_DRUG |
| C0063986 | UMLSCUI |
| CHEMBL506569 | ChEMBL_ID |
| DB13467 | DRUGBANK_ID |
| C018548 | MESH_SUPPLEMENTAL_RECORD_UI |
| 393 | INN_ID |
| 5RR3JFZ771 | UNII |
| 656630 | PUBCHEM_CID |
| 27929 | RXNORM |
| 000594 | NDDF |
| 387338006 | SNOMEDCT_US |
| 60541005 | SNOMEDCT_US |
| CHEBI:135898 | CHEBI |
None