Bioactive Compound Details

BioIDbio3429
NameGILTERITINIB FUMARATE
ChEMBL IDCHEMBL3301603
Molecular FormulaC62H92N16O10
Molecular Weight1221.52
Molecular Weight (Monoisotopic)552.3536
TypeSmall molecule
Max PhasePhase 4
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsASP-2215 HEMIFUMARATE|ASP2215 hemifumarate|GILTERITINIB FUMARATE|GILTERITINIB HEMIFUMARATE|Xospata
SmilesCCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O
InchiInChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+
Inchi KeyUJOUWHLYTQFUCU-WXXKFALUSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.1
Records Key['GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE']
Records Name['GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE', 'GILTERITINIB FUMARATE']
Withdrawn FlagFalse
Orphan1

Molecular Structure

2D Molecular Structure