CHEMBL5436641


SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1)c1ccnc2ccccc12
InChIKey FWGBSERBTNODSZ-MEMLXQNLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 511.3

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 5.75 5.75 5.75 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.73 7.73 7.73 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.24 5.24 5.24 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.65 7.65 7.65 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.0 9.0 9.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 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
D3 DRD3 Human Dopamine A pIC50 7.47 7.47 7.47 ChEMBL