CHEMBL276500


SMILES CCCN1CCCC(c2cccc(O)c2)C1
InChIKey HTSNFXAICLXZMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 219.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Bovine Dopamine A pKi 4.92 6.59 8.07 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.15 6.94 7.67 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.89 7.34 7.8 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.66 7.05 7.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.64 7.34 8.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.55 4.78 5.0 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 4.64 6.16 7.26 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 7.72 7.72 7.72 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.22 7.22 7.22 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.29 7.65 8.01 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.07 6.43 6.79 ChEMBL