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CHEBI:233312 - TopBP1-IN-1

Default Structure
ChEBI IDCHEBI:233312
ChEBI NameTopBP1-IN-1
Stars
DefinitionTopBP1-IN-1 is a TopBP1 inhibitor. TopBP1-IN-1 has a synergistic effect with PARP inhibitors. TopBP1-IN-1 has antitumor activity.
Submitterlbonaobra
DownloadsMolfile
FormulaC30H34N4O
Net Charge0
Average Mass466.629
Monoisotopic Mass466.27326
SMILES[H][C@@]12CCN(C[C@@H]1c1cc(-c3ccc4ccccc4c3)nn1C)[C@@H](CNCc1ccc(OC)cc1)C2
InChIInChI=1S/C30H34N4O/c1-33-30(17-29(32-33)25-10-9-22-5-3-4-6-23(22)15-25)28-20-34-14-13-24(28)16-26(34)19-31-18-21-7-11-27(35-2)12-8-21/h3-12,15,17,24,26,28,31H,13-14,16,18-20H2,1-2H3/t24-,26+,28-/m0/s1
InChIKeyJMJWFOVMJHVKDK-YIOBJHAYSA-N
ChEBI Ontology
Outgoing Relation(s)
TopBP1-IN-1 (CHEBI:233312) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
5D4SUBMITTER
TopBP1 inhibitor 5D4SUBMITTER
Registry NumbersSources
CAS:1212595-23-7SUBMITTER