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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1078 | 113-18-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.05 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 115.49 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PRKDC,STK33,SYK,TEK,ZAP70 | 27 | |||
| kinase-selectivity-class | MAP2K6,MAP3K14 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 10, 1961 | FDA | ABBVIE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N05CM08 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Other hypnotics and sedatives |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| CHEBI has role | CHEBI:35717 | sedative |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Insomnia | indication | 193462001 | |
| Severe Insomnia | indication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.69 | 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 | POSITIVE MODULATOR | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4018730 | VUID |
| N0000147035 | NUI |
| D00704 | KEGG_DRUG |
| 4018730 | VANDF |
| C0014987 | UMLSCUI |
| CHEBI:4882 | CHEBI |
| CHEMBL591 | ChEMBL_ID |
| DB00189 | DRUGBANK_ID |
| D004984 | MESH_DESCRIPTOR_UI |
| 5281077 | PUBCHEM_CID |
| 532 | INN_ID |
| 7180 | IUPHAR_LIGAND_ID |
| 6EIM3851UZ | UNII |
| 4118 | RXNORM |
| 4697 | MMSL |
| d00226 | MMSL |
| 001430 | NDDF |
| 111126006 | SNOMEDCT_US |
| 400660004 | SNOMEDCT_US |
None