EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:756005 - umbralisib

Default Structure
ChEBI IDCHEBI:756005
ChEBI Nameumbralisib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H24F3N5O3
Net Charge0
Average Mass571.559
Monoisotopic Mass571.18312
SMILESCC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F
InChIInChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1
InChIKeyIUVCFHHAEHNCFT-INIZCTEOSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
umbralisib (CHEBI:756005) has role antineoplastic agent (CHEBI:35610)
umbralisib (CHEBI:756005) is a isoflavones (CHEBI:38757)
Synonyms  Source
RP-5264ChEMBL
RP5264ChEMBL
Tgr 1202ChEMBL
TGR-1202 baseChEMBL
TGR-1202 FREE BASEChEMBL
UmbralisibChEMBL
Citations