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
Classification
Compound class Synthetic organic
IUPAC Name
1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea
Synonyms
compound 46 [2] | DO-264
Comments
DO264 is a selective inhibitor of the serine hydrolase, ABHD12 [2-3]. It produces immunostimulatory effects in vitro and in vivo, and is suitable as a tool compound to investigate the biological functions of ABHD12 [1,4].
Database Links
GtoPdb PubChem SID 381744932
PubChem CID 134813646
Search Google for chemical match using the InChIKey PIEQDBPBBQPLPL-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey PIEQDBPBBQPLPL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PIEQDBPBBQPLPL