PNU109291


SMILES CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(CC1)c1ccc(cc1)OC
InChIKey UDLSEQDYARNKTL-QHCPKHFHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 409.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT1D

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Western lowland gorilla 5-Hydroxytryptamine A pKi 5.24 5.24 5.24 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.43 5.43 5.43 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.78 6.78 6.78 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.62 6.62 6.62 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.24 5.24 5.24 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.05 9.05 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database