CHEMBL3040578


SMILES O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIKey YLEJYQFWEATDSD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 509.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 7.82 7.82 7.82 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.06 5.06 5.06 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.25 5.25 5.25 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.9 5.9 5.9 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.73 6.73 6.73 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.17 5.17 5.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database