Bioactive Compound Details

BioIDbio3510
NameDEZAPELISIB
ChEMBL IDCHEMBL2216863
Molecular FormulaC20H16FN7OS
Molecular Weight421.46
Molecular Weight (Monoisotopic)421.1121
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsDEZAPELISIB|INCB040093
SmilesCc1csc2nc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12
InchiInChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
Inchi KeyRSIWALKZYXPAGW-NSHDSACASA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities22.0
Np Likeness Score-1.42
Records Key['67', 'DEZAPELISIB', 'Dezapelisib', '7', '3; INCB040093']
Records Name['(S)-7-(1-(9H-purin-6-ylamino)ethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one', 'DEZAPELISIB', 'Dezapelisib', 'Dezapelisib', 'Dezapelisib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure