CHEMBL5408223


SMILES CCc1cccc(N2CCN(CC[C@H]3CC[C@H](NC(=O)COC)CC3)CC2)c1Cl
InChIKey YFCLKFMYEUGDOO-KESTWPANSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 421.3

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 6.47 6.47 6.47 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.17 5.17 5.17 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.77 8.77 8.77 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.47 7.47 7.47 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.6 9.6 9.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.68 7.68 7.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.75 8.75 8.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.73 8.73 8.73 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.22 8.22 8.22 ChEMBL