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CHEBI:755816 - amcasertib

Default Structure
ChEBI IDCHEBI:755816
ChEBI Nameamcasertib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H33N5O2S
Net Charge0
Average Mass539.705
Monoisotopic Mass539.23550
SMILESCCN(CC)CCNC(=O)c1c(C)nc(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C
InChIInChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-
InChIKeyQDWKGEFGLQMDAM-ULJHMMPZSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
amcasertib (CHEBI:755816) has role antineoplastic agent (CHEBI:35610)
amcasertib (CHEBI:755816) is a indoles (CHEBI:24828)
INN  Source
amcasertibWHO MedNet
Synonyms  Source
BBI-503ChEMBL
BBI503ChEMBL