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CHEBI:232604 - Corin

Default Structure
ChEBI IDCHEBI:232604
ChEBI NameCorin
Stars
DefinitionCorin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC), with a Ki(inact) of 110 nM for LSD1 and an IC50 of 147 nM for HDAC1.
Submitterruixy
DownloadsMolfile
FormulaC26H28N4O2
Net Charge0
Average Mass428.536
Monoisotopic Mass428.22123
SMILESNc1ccccc1NC(=O)c1ccc(CCCC(=O)Nc2ccc([C@@H]3C[C@H]3N)cc2)cc1
InChIInChI=1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32)/t21-,23+/m0/s1
InChIKeyTYTLARZOLKJSJU-JTHBVZDNSA-N
ChEBI Ontology
Outgoing Relation(s)
Corin (CHEBI:232604) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1808113-09-8SUBMITTER