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| Stem definition | Drug id | CAS RN |
|---|---|---|
| diazepam derivatives | 1654 | 2898-12-6 |
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | O |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 43 | |||
| kinase-selectivity-class | AXL,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N05BA03 | NERVOUS SYSTEM PSYCHOLEPTICS ANXIOLYTICS Benzodiazepine derivatives |
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| MeSH PA | D009125 | Muscle Relaxants, Central |
| MeSH PA | D009465 | Neuromuscular Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014151 | Anti-Anxiety Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018682 | GABA Agents |
| MeSH PA | D018757 | GABA Modulators |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.59 | Basic |
| pKa2 | 4.24 | Basic |
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ion channel | Ki | 6.28 | CHEMBL |
| ID | Source |
|---|---|
| N0000166925 | NUI |
| D01292 | KEGG_DRUG |
| C0025051 | UMLSCUI |
| CHEBI:31807 | CHEBI |
| CHEMBL28333 | ChEMBL_ID |
| CHEMBL2106842 | ChEMBL_ID |
| DB13437 | DRUGBANK_ID |
| D008472 | MESH_DESCRIPTOR_UI |
| 4041 | PUBCHEM_CID |
| 2517 | INN_ID |
| 2898-11-5 | SECONDARY_CAS_RN |
| P0J3387W3S | UNII |
| 6680 | RXNORM |
| 004101 | NDDF |
| 35967000 | SNOMEDCT_US |
| 387192003 | SNOMEDCT_US |
None