CHEMBL2037521


SMILES c1cnc(N2CCN(CCCCc3nc4ccccc4s3)CC2)nc1
InChIKey LOWWSZHAZVDMAY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 353.2

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
D4 DRD4 Rat Dopamine A pKi 9.08 9.09 9.1 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.51 8.51 8.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.0 7.01 7.03 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.9 7.35 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pIC50 7.5 7.61 7.72 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.41 7.41 7.41 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.84 5.84 5.84 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.45 6.54 6.62 ChEMBL