CHEMBL4216870


SMILES NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1
InChIKey UFIMBHYPDHTMKA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 697.4

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
D5 DRD5 Human Dopamine A pKi 5.97 5.97 5.97 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.96 5.96 5.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
H2 HRH2 Human Histamine A pKi 6.44 6.44 6.44 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.55 7.55 7.55 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.12 5.12 5.12 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.8 5.8 5.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.08 5.08 5.08 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.25 5.25 5.25 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.09 5.09 5.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 7.59 7.59 7.59 ChEMBL