LP-12


SMILES O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
InChIKey NMZIDFFHGCRAJV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 481.3

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
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.83 5.83 5.83 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 9.89 9.89 9.89 Guide to Pharmacology
D2 DRD2 Human Dopamine A pKi 6.65 6.65 6.65 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 9.89 9.89 9.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.65 6.65 6.65 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 9.89 9.89 9.89 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.65 6.65 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pEC50 5.75 5.75 5.75 ChEMBL