EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759859 - asaretoclax

Default Structure
ChEBI IDCHEBI:759859
ChEBI Nameasaretoclax
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC47H57F2N7O7S
Net Charge0
Average Mass902.078
Monoisotopic Mass901.40082
SMILESCC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5nccc5c4)c3)CC2)=C(C23CC(C(F)F)(C2)C3)C1
InChIInChI=1S/C47H57F2N7O7S/c1-44(2)12-10-32(37(23-44)46-27-47(28-46,29-46)43(48)49)26-54-16-18-55(19-17-54)33-4-6-36(40(21-33)63-34-20-31-11-15-50-41(31)52-25-34)42(57)53-64(61,62)35-5-7-38(39(22-35)56(59)60)51-24-30-8-13-45(3,58)14-9-30/h4-7,11,15,20-22,25,30,43,51,58H,8-10,12-14,16-19,23-24,26-29H2,1-3H3,(H,50,52)(H,53,57)/t30-,45-,46?,47?
InChIKeyDREKSGOBSPWACW-MNMGTKACSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
asaretoclax (CHEBI:759859) has role antineoplastic agent (CHEBI:35610)
asaretoclax (CHEBI:759859) is a piperazines (CHEBI:26144)
INN  Source
asaretoclaxWHO MedNet