Ligand id: 9431

Name: CCR2-RA-[R]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 57.61
Molecular weight 351.1
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dasse OA, Evans JL, Zhai H-X, Zou D, Kintigh JT, Chan F, Hamilton K, Hill E, Eckman JB, Higgins PJ et al.. (2007)
Novel, Acidic CCR2 Receptor Antagonists: Lead Optimization.
Letters in Drug Design & Discovery, 4 (4): 263-271.
2. O'Connor T, Borsig L, Heikenwalder M. (2015)
CCL2-CCR2 Signaling in Disease Pathogenesis.
Endocr Metab Immune Disord Drug Targets, 15 (2): 105-18. [PMID:25772168]
3. Zheng Y, Qin L, Zacarías NV, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P et al.. (2016)
Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540 (7633): 458-461. [PMID:27926736]
4. Zou D, Dasse O, Evans J, Higgins P, Kintigh J, Kondru R, Schwartz E, Knerr L, Zhai H-X. (2005)
Pyrrolidinone derivatives.
Patent number: US6936633. Assignee: Ucb S.A.. Priority date: 03/10/2001. Publication date: 20/08/2005.