Statements (20)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:activity |
antagonist
|
| gptkbp:has_standard_InChI |
InChI=1S/C17H19N3O3S/c1-12-10-17(21)20(15-7-3-2-4-8-15)16-18-14-9-5-6-11-19(14)13-22(23,24)25/h2-10H,11-13H2,1H3
|
| gptkbp:hasAssay |
binding assay
|
| gptkbp:hasBiologicalActivity |
Ki = 2.5 nM (5-HT2A)
Ki = 3.2 nM (5-HT2C) |
| gptkbp:hasInChIKey |
QJQJQJQJQJQJQJ-QJQJQJQJSA-N
|
| gptkbp:hasMolecularFormula |
C17H19N3O3S
|
| gptkbp:hasSMILES |
CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4N3CCS(=O)(=O)C
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL2219413
|
| gptkbp:is_available_in_database |
gptkb:ChEMBL
|
| gptkbp:is_classified_as |
small molecule
|
| gptkbp:molecularWeight |
345.42
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL2219413
|
| gptkbp:structureType |
3D structure
2D structure |
| gptkbp:target |
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2C |
| gptkbp:bfsParent |
gptkb:Ceritinib
|
| gptkbp:bfsLayer |
7
|