Bioactive Compound Details

BioIDbio3527
NameDIACYLGLYCEROL KINASE INHIBITOR II
ChEMBL IDCHEMBL261131
Molecular FormulaC28H25F2N3OS
Molecular Weight489.59
Molecular Weight (Monoisotopic)489.1686
TypeSmall molecule
Max Phase--
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsDiacylglycerol Kinase Inhibitor Ii
SmilesO=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InchiInChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
Inchi KeyZCNBZFRECRPCKU-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets269.0
Bioactivities566.0
Np Likeness Score-1.06
Records Key['R-59949', 'Diacylglycerol Kinase Inhibitor II', 'K00032, R59949', 'SID855913', 'NCGC00093804-01', 'K00032', 'R59949', 'R59949']
Records Name['R-59949', '3-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one', '3-{2-[4-[bis-(4-fluorophenyl)methylene]-1-piperidinyl]ethyl}-2,3-dihydro-2-thioxo-4(1H)quinazolinone', 'SID855913', 'Diacylglycerol Kinase Inhibitor II', 'K00032', '3-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one', '3-(2-(4-(bis(4-fluorophenyl)methylene)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure