UNC0006


SMILES O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl
InChIKey NGCKUAWDNUFNBB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 461.2

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
D2 DRD2 Human Dopamine A pKi 8.3 8.3 8.3 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 5.96 6.08 6.21 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.7 6.91 7.12 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.08 6.28 6.47 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 9.22 9.22 9.22 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.94 8.08 9.22 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.8 8.26 8.72 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.8 8.57 9.22 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 8.22 9.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.3 8.83 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 8.92 8.92 8.92 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.6 5.6 5.6 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.57 7.66 8.7 ChEMBL