UNC9975   

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].
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key JQSRFMXTGAVHIR-UHFFFAOYSA-N
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.