Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:activity |
gptkb:antagonist
|
| gptkbp:has_compound_class |
gptkb:indole_derivative
gptkb:sulfonamide |
| gptkbp:has_standard_relation |
=
|
| gptkbp:has_standard_type |
IC50
|
| gptkbp:has_standard_units |
μM
|
| gptkbp:has_standard_value |
0.013 μM (5-HT2A)
0.017 μM (5-HT2B) 0.021 μM (5-HT2C) |
| gptkbp:hasInChIKey |
gptkb:QJQJQJQJQJQJQJ-UHFFFAOYSA-N
|
| gptkbp:hasMolecularFormula |
C17H19N3O3S
|
| gptkbp:hasSMILES |
CC1=CC(=O)N(C2=CC=CC=C12)C3=NC4=CC=CC=C4N3CCS(=O)(=O)C
|
| gptkbp:is_bioactive |
yes
|
| gptkbp:is_experimental |
yes
|
| gptkbp:is_in_database |
gptkb:ChEMBL
|
| gptkbp:molecularWeight |
345.42
|
| gptkbp:PubChem_CID |
gptkb:CHEMBL2105727
|
| gptkbp:target |
gptkb:serotonin_5-HT2A_receptor
gptkb:serotonin_5-HT2C_receptor gptkb:serotonin_5-HT2B_receptor |
| gptkbp:bfsParent |
gptkb:linaclotide
|
| gptkbp:bfsLayer |
6
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL2105727
|