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| Stem definition | Drug id | CAS RN |
|---|---|---|
| corticosteroids, except prednisolone derivatives | 820 | 64-85-7 |
| Dose | Unit | Route |
|---|---|---|
| 5 | mg | O |
| 5 | mg | P |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.562 | Moderate | 0.73 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.647 | Moderate | 0.73 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 69.343 | 10^-6 cm/s | Moderate | 0.73 |
| dh-clint | Dog hepatocyte intrinsic clearance | 32.961 | uL/min/10^6 cells | Moderate | 0.73 |
| dppb | Dog plasma protein binding (% unbound) | 11.370 | % | Moderate | 0.73 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 15.790 | % | Moderate | 0.73 |
| herg | hERG pIC50 | 4.557 | pIC50 | Moderate | 0.73 |
| hh-clint | Human hepatocyte intrinsic clearance | 11.995 | uL/min/10^6 cells | Moderate | 0.73 |
| hlm-clint | Human liver microsomal intrinsic clearance | 42.462 | uL/min/mg protein | Moderate | 0.73 |
| hppb | Human plasma protein binding (% unbound) | 8.340 | % | Moderate | 0.73 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,NTRK2,PDK1,PDK2,PDK4,PRKDC | 14 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.540 | Moderate | 0.67 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.560 | Moderate | 0.73 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 184.927 | Moderate | 0.73 | |
| mppb | Mouse plasma protein binding (% unbound) | 13.250 | Moderate | 0.73 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 3.846 | Moderate | 0.73 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 18.260 | % | Moderate | 0.73 |
| rat-kpuu-brain | Rat brain Kpuu | 0.627 | % | Moderate | 0.67 |
| rh-clint | Rat hepatocyte intrinsic clearance | 218.776 | uL/min/10^6 cells | Moderate | 0.73 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 65.890 | % | Moderate | 0.73 |
| rppb | Rat plasma protein binding (% unbound) | 15.490 | % | Moderate | 0.73 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 154.525 | uM | Moderate | 0.73 |
None
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None
None
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| Source | Code | Description |
|---|---|---|
| ATC | H02AA03 | SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS CORTICOSTEROIDS FOR SYSTEMIC USE CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN Mineralocorticoids |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D008901 | Mineralocorticoids |
| CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.85 | acidic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Nuclear hormone receptor | AGONIST | IC50 | 11 | IUPHAR | CHEMBL | |||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 7.50 | PDSP | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 8.70 | PDSP | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 8.85 | PDSP | |||||
| Corticosteroid-binding globulin | Secreted | Ki | 7.65 | CHEMBL | |||||
| Sex hormone-binding globulin | Secreted | Kd | 7.38 | CHEMBL | |||||
| Glucocorticoid receptor | Nuclear hormone receptor | AGONIST | IC50 | 7.20 | IUPHAR |
| ID | Source |
|---|---|
| 4019710 | VUID |
| N0000147802 | NUI |
| D07792 | KEGG_DRUG |
| 3256 | RXNORM |
| 4019710 | VANDF |
| C0011710 | UMLSCUI |
| CHEBI:16973 | CHEBI |
| 1CA | PDB_CHEM_ID |
| CHEMBL1200542 | ChEMBL_ID |
| CHEMBL1498 | ChEMBL_ID |
| DB15972 | DRUGBANK_ID |
| 387 | INN_ID |
| 40GP35YQ49 | UNII |
| 6166 | PUBCHEM_CID |
| 002207 | NDDF |
| 1336006 | SNOMEDCT_US |
| 75029008 | SNOMEDCT_US |
| D003900 | MESH_DESCRIPTOR_UI |
| 2871 | IUPHAR_LIGAND_ID |
| 40GP35YQ49 | INXIGHT DRUGS |
None