| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1416 | 58186-27-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.90 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 8, 2015 | EMA |
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 |
|---|---|---|---|---|---|---|
| Cholestasis | 37.28 | 31.77 | 6 | 3 | 26942 | 34929980 |
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BX13 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| MeSH PA | D000975 | Antioxidants |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:22586 | antioxidants |
| CHEBI has role | CHEBI:173084 | ferroptosis inhibitors |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Leber's optic atrophy | indication | 58610003 | DOID:705 |
None
None
None
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | Enzyme | IC50 | 5.16 | DRUG MATRIX | |||||
| Cytochrome P450 2D6 | Enzyme | IC50 | 5.52 | DRUG MATRIX | |||||
| Cytochrome P450 2C9 | Enzyme | IC50 | 5.30 | DRUG MATRIX | |||||
| Cytochrome P450 2C19 | Enzyme | IC50 | 6.10 | DRUG MATRIX | |||||
| NAD-dependent protein deacetylase | Unclassified | IC50 | 5.72 | CHEMBL |
| ID | Source |
|---|---|
| D01750 | KEGG_DRUG |
| C0123163 | UMLSCUI |
| CHEBI:31687 | CHEBI |
| CHEMBL252556 | ChEMBL_ID |
| DB09081 | DRUGBANK_ID |
| C036619 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3686 | PUBCHEM_CID |
| 5465 | INN_ID |
| HB6PN45W4J | UNII |
| 51296 | RXNORM |
| 006795 | NDDF |
| 428158006 | SNOMEDCT_US |
| 429666007 | SNOMEDCT_US |
None