UNC9975   Click here for help

GtoPdb Ligand ID: 7650

Compound class: Synthetic organic
Comment: UNC9975 is an analog of aripiprazole and is a β-arrestin–biased dopamine D2 receptor ligand [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 57.7
Molecular weight 462.16
XLogP 5.17
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl
Isomeric SMILES O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl
InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
D2 receptor Hs Agonist Biased agonist 8.6 pKi - 1
pKi 8.6 (Ki 2.6x10-9 M) [1]
Description: β-arrestin 2 biased agonist.
D2 receptor Hs Agonist Biased agonist 9.0 pEC50 - 1
pEC50 9.0 (EC50 1.1x10-9 M) [1]
Description: This compound shows biased agonism towards D2-mediated β-arrestin-2 translocation measured using the Tango assay.