CHEMBL5409134


SMILES CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)N(C)C)CC3)CC2)c1
InChIKey QKOGYUWOPZFTRE-MXVIHJGJSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 450.3

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
D4 DRD4 Human Dopamine A pKi 5.61 5.61 5.61 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.34 7.34 7.34 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.75 8.75 8.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.17 6.17 6.17 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.87 7.87 7.87 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.14 8.14 8.14 ChEMBL