| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1313 | 77-21-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.25 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 38.34 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| S (Water solubility) | 0.95 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Oct. 28, 1976 | FDA | SANDOZ |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N05CE01 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Piperidinedione derivatives |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Insomnia | indication | 193462001 | |
| Hypochloremia | contraindication | 10399008 | |
| Hyperkalemia | contraindication | 14140009 | |
| Hyperbilirubinemia | contraindication | 14783006 | DOID:2741 |
| Infectious disease | contraindication | 40733004 | |
| Hypothyroidism | contraindication | 40930008 | DOID:1459 |
| Low blood pressure | contraindication | 45007003 | |
| Hyponatremia | contraindication | 89627008 | |
| Liver function tests abnormal | contraindication | 166603001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Hypoglycemic disorder | contraindication | 237630007 | |
| Pregnancy, function | contraindication | 289908002 | |
| Surgical procedure | contraindication | 387713003 | |
| Traumatic injury | contraindication | 417746004 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.75 | acidic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| GABA-A receptor alpha-1/beta-3/gamma-2 | Ion channel | POSITIVE MODULATOR | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4018842 | VUID |
| N0000147144 | NUI |
| D00532 | KEGG_DRUG |
| 4018842 | VANDF |
| C0017845 | UMLSCUI |
| CHEBI:5439 | CHEBI |
| CHEMBL1102 | ChEMBL_ID |
| DB01437 | DRUGBANK_ID |
| D005984 | MESH_DESCRIPTOR_UI |
| 3487 | PUBCHEM_CID |
| 7192 | IUPHAR_LIGAND_ID |
| 484 | INN_ID |
| C8I4BVN78E | UNII |
| 4903 | RXNORM |
| 001432 | NDDF |
| 83143006 | SNOMEDCT_US |
None