CHEMBL4517102


SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
InChIKey ANDAVALYLUYQOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 455.2

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 Human Dopamine A pKi 5.62 5.62 5.62 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.56 7.56 7.56 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.49 8.49 8.49 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.01 9.01 9.01 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.93 6.93 6.93 ChEMBL
D3 DRD3 Human Dopamine A pEC50 6.71 6.71 6.71 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.64 6.64 6.64 ChEMBL