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| Stem definition | Drug id | CAS RN |
|---|---|---|
| serotonin receptor antagonists | 4588 | 105431-72-9 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
acetylcholine releasing drug
|
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK1,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK1,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,ROCK1,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 60 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,ERBB2,GRK2,MAP2K6 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BX09 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018696 | Neuroprotective Agents |
| MeSH PA | D020011 | Protective Agents |
| MeSH PA | D026902 | Potassium Channel Blockers |
| MeSH PA | D049990 | Membrane Transport Modulators |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.92 | Basic |
| pKa2 | 5.31 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 2 | Ion channel | BLOCKER | IC50 | 5.30 | IUPHAR | ||||
| Potassium voltage-gated channel subfamily KQT member 5 | Ion channel | BLOCKER | Kd | 4.80 | IUPHAR | ||||
| Potassium voltage-gated channel subfamily KQT member 4 | Ion channel | BLOCKER | IC50 | 4.90 | IUPHAR | ||||
| Potassium voltage-gated channel subfamily KQT member 3 | Ion channel | INHIBITOR | IC50 | 5.40 | IUPHAR | ||||
| Potassium voltage-gated channel subfamily KQT member 1 | Ion channel | INHIBITOR | IC50 | 4.40 | IUPHAR |
| ID | Source |
|---|---|
| D04741 | KEGG_DRUG |
| CHEBI:34823 | CHEBI |
| FCC | PDB_CHEM_ID |
| CHEMBL319111 | ChEMBL_ID |
| C061017 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2599 | IUPHAR_LIGAND_ID |
| 6952 | INN_ID |
| DB13806 | DRUGBANK_ID |
| I5TB3NZ94T | UNII |
| C0286263 | UMLSCUI |
| 3932 | PUBCHEM_CID |
| I5TB3NZ94T | INXIGHT DRUGS |
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