EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:759624 - tre-515

Default Structure
ChEBI IDCHEBI:759624
ChEBI Nametre-515
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H30N6O3S2
Net Charge0
Average Mass502.666
Monoisotopic Mass502.18208
SMILESCOc1ccc(-c2nc([C@@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCOCC1
InChIInChI=1S/C23H30N6O3S2/c1-14-21(15(2)34-23-26-19(24)13-20(25)27-23)28-22(33-14)16-4-5-17(30-3)18(12-16)32-11-8-29-6-9-31-10-7-29/h4-5,12-13,15H,6-11H2,1-3H3,(H4,24,25,26,27)/t15-/m1/s1
InChIKeyMFVINMPRHHUSBW-OAHLLOKOSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tre-515 (CHEBI:759624) has role antineoplastic agent (CHEBI:35610)
tre-515 (CHEBI:759624) is a thiazoles (CHEBI:48901)
Synonym  Source
Tre-515ChEMBL