RHC80267   Click here for help

GtoPdb Ligand ID: 5255

Synonyms: RHC 80267 | RHC-80267 | U 57908
Compound class: Synthetic organic
Comment: RHC80267 ia a diacylglycerol lipase (DAGL) inhibitor. It does not inhibit ABHD12.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 101.38
Molecular weight 394.26
XLogP 3.76
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1
Isomeric SMILES O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1
InChI InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
InChI Key RXSVYGIGWRDVQC-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Diacylglycerol lipase α Hs Inhibitor Inhibition 4.2 pIC50 - 1
pIC50 4.2 (IC50 6.5x10-5 M) [1]
Diacylglycerol lipase β Hs Inhibitor Inhibition - - -