EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759860 - bbp-398

Default Structure
ChEBI IDCHEBI:759860
ChEBI Namebbp-398
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H26Cl2N4O2
Net Charge0
Average Mass437.371
Monoisotopic Mass436.14328
SMILESCc1c(N2CCC3(CC2)CO[C@@H](C)[C@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C21H26Cl2N4O2/c1-12-19(26-9-7-21(8-10-26)11-29-13(2)18(21)24)25-14(3)27(20(12)28)16-6-4-5-15(22)17(16)23/h4-6,13,18H,7-11,24H2,1-3H3/t13-,18+/m0/s1
InChIKeyABKATOFAZUIEJX-SCLBCKFNSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bbp-398 (CHEBI:759860) has role antineoplastic agent (CHEBI:35610)
bbp-398 (CHEBI:759860) is a azaspiro compound (CHEBI:35624)
Synonyms  Source
Bbp-398ChEMBL
Bms-986466ChEMBL
IACS-15509ChEMBL