CHEMBL71707


SMILES O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1
InChIKey DKMPNHJOVOVCMF-VSHVGKGISA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 551.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 7.4 7.4 7.4 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.7 5.7 5.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.6 5.6 5.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database