CHEMBL5404054


SMILES CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)c4ccnc5ccccc45)CC3)CC2)c1Cl
InChIKey VWTCRTQGMATJRY-HCGLCNNCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 504.3

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 6.38 6.38 6.38 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.27 5.27 5.27 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.9 8.9 8.9 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.12 7.12 7.12 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.47 9.47 9.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.11 8.11 8.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.44 7.44 7.44 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.37 7.37 7.37 ChEMBL