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| Stem definition | Drug id | CAS RN |
|---|---|---|
| gabamimetic agents | 2278 | 62666-20-0 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 60 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,TEK | 21 | |||
| kinase-selectivity-class | ACVR2B,AXL,EIF2AK3,GRK2,PDK4,SIK2,TTK | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1985 | YEAR INTRODUCED |
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None
None
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| Source | Code | Description |
|---|---|---|
| ATC | N03AG05 | NERVOUS SYSTEM ANTIEPILEPTICS ANTIEPILEPTICS Fatty acid derivatives |
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D000978 | Antiparkinson Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018682 | GABA Agents |
| MeSH PA | D018726 | Anti-Dyskinesia Agents |
| MeSH PA | D018755 | GABA Agonists |
None
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.28 | acidic |
| pKa2 | 13.0 | acidic |
| pKa3 | 3.38 | Basic |
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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 | Ki | 4.40 | WOMBAT-PK | |||||
| GABA-A receptor; anion channel | Ion channel | Ki | 4.40 | CHEMBL | |||||
| GABA-A receptor; anion channel | Ion channel | Ki | 4.85 | CHEMBL |
| ID | Source |
|---|---|
| D05621 | KEGG_DRUG |
| C0072076 | UMLSCUI |
| CHEMBL287631 | ChEMBL_ID |
| DB00837 | DRUGBANK_ID |
| C017985 | MESH_SUPPLEMENTAL_RECORD_UI |
| 44115 | PUBCHEM_CID |
| 4656 | INN_ID |
| 38C836J57Z | UNII |
| 34568 | RXNORM |
| 005334 | NDDF |
| CHEBI:135422 | CHEBI |
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