CHEMBL4642592


SMILES CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1
InChIKey AFRXCTUPOJKNDG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 517.2

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
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.41 5.41 5.41 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.63 5.63 5.63 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.36 5.36 5.36 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.76 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.37 5.37 5.37 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.5 5.5 5.5 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.86 5.86 5.86 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.37 5.37 5.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Mouse P2Y A pIC50 7.53 7.53 7.53 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 7.56 7.56 7.56 ChEMBL