NGB 2904


SMILES O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
InChIKey YJPWVCIGSHWNON-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 493.2

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
D3 DRD3 Rat Dopamine A pKi 8.85 8.92 8.96 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.39 6.39 6.39 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.57 8.83 9.63 ChEMBL
D3 DRD3 Human Dopamine A pKd 8.7 8.7 8.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.17 6.17 6.17 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.69 5.69 5.69 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.16 6.85 7.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.8 8.8 8.8 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 5.43 5.43 5.43 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.04 6.25 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.84 7.99 8.3 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.89 5.89 5.89 ChEMBL