| Stem definition | Drug id | CAS RN |
|---|---|---|
| hypnotics, barbituric acid derivatives | 1369 | 56-29-1 |
| Dose | Unit | Route |
|---|---|---|
| 0.25 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 640 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 30.23 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 95 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 3.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.53 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 4.90 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1932 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N01AF02 | NERVOUS SYSTEM ANESTHETICS ANESTHETICS, GENERAL Barbiturates, plain |
| ATC | N05CA16 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Barbiturates, plain |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D018682 | GABA Agents |
| MeSH PA | D018757 | GABA Modulators |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| MeSH PA | D018377 | Neurotransmitter Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.09 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| GABA-A receptor alpha-2/beta-3/gamma-2 | Ion channel | WOMBAT-PK | |||||||
| GABA-A receptor alpha-3/beta-3/gamma-2 | Ion channel | WOMBAT-PK | |||||||
| GABA-A receptor alpha-5/beta-3/gamma-2 | Ion channel | WOMBAT-PK | |||||||
| GABA-A receptor alpha-1/beta-3/gamma-2 | Ion channel | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018823 | VUID |
| N0000147126 | NUI |
| D01071 | KEGG_DRUG |
| 4018823 | VANDF |
| C0019469 | UMLSCUI |
| CHEBI:5706 | CHEBI |
| CHEMBL7728 | ChEMBL_ID |
| DB01355 | DRUGBANK_ID |
| D006591 | MESH_DESCRIPTOR_UI |
| 3608 | PUBCHEM_CID |
| 2086 | INN_ID |
| AL8Z8K3P6S | UNII |
| 5302 | RXNORM |
| 001424 | NDDF |
| 423380000 | SNOMEDCT_US |
| 81362008 | SNOMEDCT_US |
None