CHEMBL93403


SMILES COc1cccc(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIKey DQVARXSGNFBPMB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 373.2

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
D4 DRD4 Rat Dopamine A pKi 8.3 8.3 8.3 ChEMBL
D4 DRD4 Human Dopamine A pKi 10.4 10.4 10.4 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.83 6.83 6.83 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.72 5.72 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.95 4.95 4.95 ChEMBL
D4 DRD4 Human Dopamine A pIC50 10.24 10.24 10.24 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.66 6.66 6.66 ChEMBL