YL-365   Click here for help

GtoPdb Ligand ID: 12947

Synonyms: YL365
Compound class: Synthetic organic
Comment: YL-365 is a selective GPR34 antagonist [1]. It is a competitive antagonist that binds at a position within the receptor's orthosteric binding pocket. YL-365 has anti-nociceptive action in a neuropathic pain model.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 95.94
Molecular weight 583.07
XLogP 3.06
No. Lipinski's rules broken 1
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Canonical SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)NC3(CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC(=CC=C5)Cl)C(=O)O
Isomeric SMILES OC(=O)C1(CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(Cl)=CC=C3)NC(=O)CC4=CC=C(OCC5=CC=CC=C5)C=C4
InChI InChI=1S/C34H31ClN2O5/c35-29-8-4-7-28(22-29)26-11-13-27(14-12-26)32(39)37-19-17-34(18-20-37,33(40)41)36-31(38)21-24-9-15-30(16-10-24)42-23-25-5-2-1-3-6-25/h1-16,22H,17-21,23H2,(H,36,38)(H,40,41)
Bioactivity Comments
YL-365 is selective for GPR34, with no activity detected across a range of GPCRs and protein kinases.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR34 Hs Antagonist Antagonist 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.7x10-8 M) [1]