CHEMBL70565


SMILES CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21
InChIKey YOILXOMTHPUMRG-TZMCWYRMSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 249.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7CMV

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pKi 6.77 7.17 7.58 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.78 5.78 5.78 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.11 8.52 8.85 ChEMBL
μ OPRM Human Opioid A pKi 4.44 4.44 4.44 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.93 7.18 7.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.15 6.77 7.75 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.51 6.21 6.91 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 8.24 8.24 8.24 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 5.75 6.6 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.3 5.3 5.3 ChEMBL