CHEMBL5438846


SMILES O=C(O)c1cc(-c2ccc(C3=CC4(CNC4)C3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
InChIKey MCHDJAGBMLLHOF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 485.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pKi 8.25 8.25 8.25 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.17 5.17 5.17 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.14 5.14 5.14 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.3 5.3 5.3 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.17 5.17 5.17 ChEMBL
H1 HRH1 Human Histamine A pKi 5.25 5.25 5.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Mouse P2Y A pIC50 7.8 7.8 7.8 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 8.01 8.01 8.01 ChEMBL