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| Stem definition | Drug id | CAS RN |
|---|---|---|
| hypnotics, barbituric acid derivatives | 2428 | 76-73-3 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 1.10 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 10.97 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 90 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,SIK2,STK33,TEK | 22 | |||
| kinase-selectivity-class | GRK2,TEK | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 19, 1950 | FDA |
None
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| Source | Code | Description |
|---|---|---|
| ATC | N05CA06 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Barbiturates, plain |
| MeSH PA | D000759 | Adjuvants, Anesthesia |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018682 | GABA Agents |
| MeSH PA | D018757 | GABA Modulators |
| CHEBI has role | CHEBI:35717 | sedative |
| CHEBI has role | CHEBI:50268 | GABA modulator |
| CHEBI has role | CHEBI:60807 | anaesthesia adjuvant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| General anesthesia | indication | 50697003 | |
| Severe anxiety (panic) | indication | 80583007 | |
| Epilepsy | indication | 84757009 | DOID:1826 |
| Seizure disorder | indication | 128613002 | |
| Insomnia | indication | 193462001 | |
| Status epilepticus | indication | 230456007 | DOID:1824 |
| Local anesthesia | indication | 386761002 | |
| Tetanus Adjunct Treatment | indication | ||
| Apnea | contraindication | 1023001 | |
| Suicidal thoughts | contraindication | 6471006 | |
| Alcoholism | contraindication | 7200002 | |
| Hyperammonemia | contraindication | 9360008 | |
| Chronic obstructive lung disease | contraindication | 13645005 | DOID:3083 |
| Hepatic encephalopathy | contraindication | 13920009 | DOID:13413 |
| Disorder of lung | contraindication | 19829001 | DOID:850 |
| Depressive disorder | contraindication | 35489007 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Hyperactive behavior | contraindication | 44548000 | |
| Low blood pressure | contraindication | 45007003 | |
| Heart disease | contraindication | 56265001 | DOID:114 |
| Hepatic failure | contraindication | 59927004 | |
| Substance abuse | contraindication | 66214007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Decreased respiratory function | contraindication | 80954004 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Pneumonia | contraindication | 233604007 | DOID:552 |
| 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 |
| Species | Use | Relation |
|---|---|---|
| Dogs | Euthanasia | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Repose Euthanasia Solution | Zoetis Inc. | 2 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.68 | acidic |
| pKa2 | 9.37 | acidic |
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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-2/gamma-2 | Ion channel | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL | |||||
| Matrix metalloproteinase-9 | Enzyme | IC50 | 5.58 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4018969 | VUID |
| N0000147250 | NUI |
| D00430 | KEGG_DRUG |
| 309-43-3 | SECONDARY_CAS_RN |
| 4017452 | VANDF |
| 4018969 | VANDF |
| C0036516 | UMLSCUI |
| CHEBI:9073 | CHEBI |
| CHEMBL447 | ChEMBL_ID |
| DB00418 | DRUGBANK_ID |
| CHEMBL1200903 | ChEMBL_ID |
| D012631 | MESH_DESCRIPTOR_UI |
| 5193 | PUBCHEM_CID |
| 7615 | IUPHAR_LIGAND_ID |
| 146 | INN_ID |
| 1P7H87IN75 | UNII |
| 91110 | RXNORM |
| 1495 | MMSL |
| 5446 | MMSL |
| d00368 | MMSL |
| 001415 | NDDF |
| 001416 | NDDF |
| 372737001 | SNOMEDCT_US |
| 42444000 | SNOMEDCT_US |
| 66639008 | SNOMEDCT_US |
None