Statements (24)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:hasAssay |
gptkb:Rattus_norvegicus
binding |
| gptkbp:hasBioactivityType |
antagonist
|
| gptkbp:hasHBA |
5
|
| gptkbp:hasHBD |
2
|
| gptkbp:hasInChIKey |
QZKQJQJQJQJQJQ-UHFFFAOYSA-N
|
| gptkbp:hasLogP |
2.6
|
| gptkbp:hasMolecularFormula |
C17H19N3O3
|
| gptkbp:hasPSA |
77.2
|
| gptkbp:hasRotatableBonds |
4
|
| gptkbp:hasSMILES |
CC1=CC(=O)N(C2=CC=CC=C12)CCN3C(=O)C=CC(=N3)N
|
| gptkbp:hasStandardType |
IC50
|
| gptkbp:hasStandardValue |
0.7 nM
|
| gptkbp:hasTargetOrganism |
gptkb:Homo_sapiens
|
| https://www.w3.org/2000/01/rdf-schema#label |
CHEMBL1173605
|
| gptkbp:isActiveAgainst |
gptkb:adenosine_A2A_receptor
|
| gptkbp:isContainedInDatabase |
gptkb:ChEMBL
|
| gptkbp:molecularWeight |
313.35
|
| gptkbp:synonym |
gptkb:ZM-241385
gptkb:ZM241385 gptkb:ZM_241385 |
| gptkbp:bfsParent |
gptkb:dabrafenib
|
| gptkbp:bfsLayer |
6
|