LEI105   

GtoPdb Ligand ID: 10246

Synonyms: LEI-105
Compound class: Synthetic organic
Comment: LEI105 is a diacylglycerol lipase (DAGL) inhibitor [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 55.99
Molecular weight 384.18
XLogP 6.36
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1
Isomeric SMILES Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1
InChI InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3
InChI Key XDHONXIOZAUYDB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[6-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
Synonyms
LEI-105
Database Links
GtoPdb PubChem SID 381744928
PubChem CID 122390213
Search Google for chemical match using the InChIKey XDHONXIOZAUYDB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XDHONXIOZAUYDB
Search UniChem for chemical match using the InChIKey XDHONXIOZAUYDB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XDHONXIOZAUYDB