CHEBI:83656 - luminespib

ChEBI IDCHEBI:83656
ChEBI Nameluminespib
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.
Last Modified7 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
InChIKeyNDAZATDQFDPQBD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
luminespib (CHEBI:83656) has role angiogenesis inhibitor (CHEBI:48422)
luminespib (CHEBI:83656) has role antineoplastic agent (CHEBI:35610)
luminespib (CHEBI:83656) has role Hsp90 inhibitor (CHEBI:63962)
luminespib (CHEBI:83656) is a aromatic amide (CHEBI:62733)
luminespib (CHEBI:83656) is a isoxazoles (CHEBI:55373)
luminespib (CHEBI:83656) is a monocarboxylic acid amide (CHEBI:29347)
luminespib (CHEBI:83656) is a morpholines (CHEBI:38785)
luminespib (CHEBI:83656) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
Synonym  Source
NVP-AUY922ChEBI
Manual XrefsDatabases
NVP-AUY922Wikipedia
Registry NumbersSources
Reaxys:12046798Reaxys
CAS:747412-49-3ChemIDplus
Citations