A-123189


SMILES COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C
InChIKey PANBMHHKBRMYAL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 476.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.0 8.15 8.3 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.4 8.4 8.4 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 10.22 10.22 10.22 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 8.92 8.92 8.92 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 9.8 9.8 9.8 Guide to Pharmacology
H1 HRH1 Human Histamine A pKi 9.0 9.0 9.0 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.05 8.05 8.05 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.05 8.05 8.05 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.03 8.03 8.03 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database