YD-3   Click here for help

GtoPdb Ligand ID: 9458

Compound class: Synthetic organic
Comment: YD-3 is a selective PAR4 antagonist [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 44.12
Molecular weight 356.15
XLogP 5.88
No. Lipinski's rules broken 1
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Canonical SMILES CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1
Isomeric SMILES CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1
InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
1. Wen W, Young SE, Duvernay MT, Schulte ML, Nance KD, Melancon BJ, Engers J, Locuson 2nd CW, Wood MR, Daniels JS et al.. (2014)
Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists: Discovery and SAR of ML354.
Bioorg Med Chem Lett, 24 (19): 4708-13. [PMID:25176330]
2. Wu CC, Huang SW, Hwang TL, Kuo SC, Lee FY, Teng CM. (2000)
YD-3, a novel inhibitor of protease-induced platelet activation.
Br J Pharmacol, 130 (6): 1289-96. [PMID:10903968]