DO264

Ligand id: 10250

Name: DO264

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 103.63
Molecular weight 557.07
XLogP 6.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Kind L, Kursula P. (2019)
Structural properties and role of the endocannabinoid lipases ABHD6 and ABHD12 in lipid signalling and disease.
Amino Acids, 51 (2): 151-174. [PMID:30564946]
2. Ogasawara D, Ichu TA, Jing H, Hulce JJ, Reed A, Ulanovskaya OA, Cravatt BF. (2019)
Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12).
J. Med. Chem., 62 (3): 1643-1656. [PMID:30720278]
3. Ogasawara D, Ichu TA, Vartabedian VF, Benthuysen J, Jing H, Reed A, Ulanovskaya OA, Hulce JJ, Roberts A, Brown S et al.. (2018)
Selective blockade of the lyso-PS lipase ABHD12 stimulates immune responses in vivo.
Nat. Chem. Biol., 14 (12): 1099-1108. [PMID:30420694]
4. Savinainen JR, Navia-Paldanius D, Laitinen JT. (2016)
A Sensitive and Versatile Fluorescent Activity Assay for ABHD12.
Methods Mol. Biol., 1412: 179-89. [PMID:27245904]