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| Stem definition | Drug id | CAS RN |
|---|---|---|
| hypnotics, barbituric acid derivatives | 439 | 125-40-6 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 1 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 9.42 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 5, 1939 | FDA | MEDA PHARMS |
None
None
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None
| Source | Code | Description |
|---|---|---|
| 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 |
|---|---|---|---|
| Dysuria | indication | 49650001 | |
| Severe anxiety (panic) | indication | 80583007 | |
| Insomnia | indication | 193462001 | |
| Urinary Tract Irritation | indication | ||
| General anesthesia | off-label use | 50697003 | |
| Gilles de la Tourette's syndrome | contraindication | 5158005 | DOID:11119 |
| Suicidal thoughts | contraindication | 6471006 | |
| Dependent drug abuse | contraindication | 6525002 | |
| Alcoholism | contraindication | 7200002 | |
| Hyperammonemia | contraindication | 9360008 | |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Bipolar disorder | contraindication | 13746004 | DOID:3312 |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Disorder of autonomic nervous system | contraindication | 15241006 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Feeling agitated | contraindication | 24199005 | |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Depressive disorder | contraindication | 35489007 | |
| Glomerulonephritis | contraindication | 36171008 | DOID:2921 |
| Acute hepatitis | contraindication | 37871000 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hypovolemic shock | contraindication | 39419009 | |
| Hyperactive behavior | contraindication | 44548000 | |
| Uremia | contraindication | 44730006 | DOID:4676 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Anorexia nervosa | contraindication | 56882008 | DOID:8689 |
| Hepatic failure | contraindication | 59927004 | |
| Aggressive behavior | contraindication | 61372001 | |
| Substance abuse | contraindication | 66214007 | |
| Psychotic disorder | contraindication | 69322001 | |
| Arteriosclerotic vascular disease | contraindication | 72092001 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Cardiomyopathy | contraindication | 85898001 | DOID:0050700 |
| Weight loss | contraindication | 89362005 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Structural disorder of heart | contraindication | 128599005 | |
| Seizure disorder | contraindication | 128613002 | |
| Motor tic disorder | contraindication | 230337001 | |
| Cerebrovascular accident | contraindication | 230690007 | |
| Mania | contraindication | 231494001 | |
| Gastroesophageal reflux disease | contraindication | 235595009 | DOID:8534 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Pyloric obstruction | contraindication | 244815007 | |
| Sleep automatism | contraindication | 247962006 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Pregnancy, function | contraindication | 289908002 | |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Cardiovascular event risk | contraindication | 395112001 | |
| Visual impairment | contraindication | 397540003 | |
| Respiratory insufficiency | contraindication | 409623005 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 | |
| Porphyria | contraindication | 418470004 | |
| Fever greater than 100.4 Fahrenheit | contraindication | 426000000 | |
| Hypertensive urgency | contraindication | 443482000 | |
| Acute exacerbation of asthma | contraindication | 708038006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.93 | acidic |
| pKa2 | 9.62 | 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-2/gamma-2 | Ion channel | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4019647 | VUID |
| N0000147740 | NUI |
| D00699 | KEGG_DRUG |
| 143-81-7 | SECONDARY_CAS_RN |
| 477631 | RXNORM |
| C0006464 | UMLSCUI |
| CHEBI:3228 | CHEBI |
| CHEMBL449 | ChEMBL_ID |
| CHEMBL1200982 | ChEMBL_ID |
| DB00237 | DRUGBANK_ID |
| C084833 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2479 | PUBCHEM_CID |
| 3794 | MMSL |
| 4310 | MMSL |
| d00923 | MMSL |
| 372901004 | SNOMEDCT_US |
| 4780009 | SNOMEDCT_US |
| 9268004 | SNOMEDCT_US |
| 1152 | INN_ID |
| 7137 | IUPHAR_LIGAND_ID |
| 4018440 | VANDF |
| 4019647 | VANDF |
| P0078O25A9 | UNII |
| 001410 | NDDF |
| 004582 | NDDF |
None