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CHEBI:232952 - AMB639752

ChEBI IDCHEBI:232952
ChEBI NameAMB639752
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SubmitterFlyBase
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FormulaC21H23N3O3
Net Charge0
Average Mass365.433
Monoisotopic Mass365.17394
SMILESCc1ccc2c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c(C)nc2c1
InChIInChI=1S/C21H23N3O3/c1-14-5-6-16-17(12-14)22-15(2)20(16)18(25)13-23-7-9-24(10-8-23)21(26)19-4-3-11-27-19/h3-6,11-12,22H,7-10,13H2,1-2H3
InChIKeyVMGUWRHRHRBXFE-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any phosphotransferase with an alcohol group as acceptor (EC 2.7.1.*).
ChEBI Ontology
Outgoing Relation(s)
AMB639752 (CHEBI:232952) has role EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor (CHEBI:76881)
AMB639752 (CHEBI:232952) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
Registry NumbersSources
CAS:371210-26-3SUBMITTER
Citations