| Stem definition | Drug id | CAS RN |
|---|---|---|
| hypnotics, barbituric acid derivatives | 1696 | 115-38-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 40.61 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 73 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1935 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N03AA01 | NERVOUS SYSTEM ANTIEPILEPTICS ANTIEPILEPTICS Barbiturates and derivatives |
| MeSH PA | D000927 | Anticonvulsants |
| 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 |
| CHEBI has role | CHEBI:35623 | anticonvulsants |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Anxiety | indication | 48694002 | |
| Apprehension | indication | 49971008 | |
| Tension | indication | 53489000 | |
| Epilepsy | indication | 84757009 | DOID:1826 |
| Tonic-clonic epilepsy | indication | 352818000 | DOID:7725 |
| Suicidal thoughts | contraindication | 6471006 | |
| Alcoholism | contraindication | 7200002 | |
| Hyperammonemia | contraindication | 9360008 | |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Depressive disorder | contraindication | 35489007 | |
| Hyperactive behavior | contraindication | 44548000 | |
| Hepatic failure | contraindication | 59927004 | |
| Substance abuse | contraindication | 66214007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Sleep automatism | contraindication | 247962006 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Respiratory insufficiency | contraindication | 409623005 | |
| Porphyria | contraindication | 418470004 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.68 | acidic |
None
None
| 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 | WOMBAT-PK |
| ID | Source |
|---|---|
| 4018245 | VUID |
| N0000146576 | NUI |
| D00700 | KEGG_DRUG |
| 4018245 | VANDF |
| C0025382 | UMLSCUI |
| CHEBI:6758 | CHEBI |
| CHEMBL399103 | ChEMBL_ID |
| CHEMBL253331 | ChEMBL_ID |
| CHEMBL45029 | ChEMBL_ID |
| DB00849 | DRUGBANK_ID |
| 8271 | PUBCHEM_CID |
| 6758 | RXNORM |
| 11888 | MMSL |
| 5049 | MMSL |
| d00919 | MMSL |
| 001417 | NDDF |
| 387252006 | SNOMEDCT_US |
| 46709004 | SNOMEDCT_US |
| D008618 | MESH_DESCRIPTOR_UI |
| 2901 | INN_ID |
| 5NC67NU76B | UNII |
None