Compound: Luminespib
SMILES: O=C(NCC)c1noc(c1-c2ccc(CN3CCOCC3)cc2)-c4c(O)cc(O)c(c4)C(C)C
InChIKey: NDAZATDQFDPQBD-UHFFFAOYSA-N
Synonyms: Luminespib, 747412-49-3, NVP-AUY922, VER-52296, AUY-922, NVP-AUY 922, NVP-AUY-922, C6V1DAR5EB, NVP-AUY922-NX, NVP AUY 922, CHEBI:83656, DTXSID001336117, luminespibum, RefChem:924982, Hsp90 Inhibitor AUY922, DTXCID701766236, 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide, Luminespib (AUY-922, NVP-AUY922), Luminespib (NVP-AUY922), Luminespib (AUY-922 ), VER 52296, MFCD14635361, 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide, CHEMBL3900791, AUY922 (NVP-AUY922), 5-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide, 5-[2,4-Dihydroxy-5-(1-Methylethyl)phenyl]-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide, Luminespib [USAN:INN], UNII-C6V1DAR5EB, NVR-AUY 922, Isoxazole, 40f, 2GJ, 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide;VER 52296; NVP-AUY922;, VER-52296/NVP-AUY922, LUMINESPIB [INN], Luminespib (USAN/INN), LUMINESPIB [USAN], Luminespib; NVP-AUY922, LUMINESPIB [WHO-DD], 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide, MLS006011081, SCHEMBL892205, Luminespib (NVP-AUY922)?, CHEMBL252164, GTPL9261, orb1306830, SCHEMBL2682235, SCHEMBL2682238, AUY922,NVP-AUY922, LUMINESPIB(NVP-AUY922), SCHEMBL29366572, BDBM20926, CHEBI:91422, EX-A611, NDAZATDQFDPQBD-UHFFFAOYSA-N, GLXC-90117, HMS3295K23, HMS3654C15, BDBM50274536, NSC755762, s1069, AKOS015966502, AKOS026750297, CCG-264804, CS-0136, NSC-755762, SB16640, NCGC00247878-01, NCGC00387853-03, AC-33144, AS-17014, FL137696, HY-10215, SMR004702869, SW219319-1, CAS:747412-49-3;NVP-AUY922, D10646, BRD-K41859756-001-01-9, BRD-K41859756-001-06-8, BRD-K41859756-001-08-4, BRD-K41859756-001-09-2, Q10859697, Q27082304, Q27163272, AUY922; VER-52296; AUY 922; VER 52296; AUY-922; VER-52296, 5-(2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL)-N-ETHYL-4-(4-((MORPHOLIN-4-YL)METHYL)PHENYL(-1,2-OXAZOLE-3-CARBOXAMIDE, 5-(2,4-dihydroxy-5-isopropyl-phenyl)-N-ethyl-4-[4-(morpholinomethyl)phenyl]isoxazole-3-carboxamide, 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide, 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide, N-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-yl-1-cyclohexa-2,4-dienylidene)-4-[4-(4-morpholinylmethyl)phenyl]-2H-isoxazole-3-carboxamide
Theoretical properties:
molecular_formula: C26H31N3O5
molecular_weight: 465.5 g/mol
exact_mass: 465.22637110 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 7
heavy_atom_count: 34
topological_polar_surface_area: 108 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Luminespib is a 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. It has a role as an antineoplastic agent, an angiogenesis inhibitor and a Hsp90 inhibitor. It is a monocarboxylic acid amide, a member of resorcinols, a member of morpholines, a member of isoxazoles and an aromatic amide.
chebi: A 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.
wikipedia: Luminespib (INN, previously known as NVP-AUY922) is an experimental drug candidate for the treatment of cancer. It was discovered through a collaboration between The Institute of Cancer Research and the pharmaceutical company Vernalis and licensed to Novartis.  From 2011 to 2014 it was in Phase II clinical trials.  Chemically it is a resorcinylic isoxazole amide
Luminespib is an inhibitor of heat shock protein 90 (Hsp90), which is a chaperone protein that plays a role in the modification of a variety of proteins that have been implicated in oncogenesis. Luminespib has shown promising activity in preclinical testing against several different tumor types.
A related compound, NVP-HSP990, was abandoned by Novartis in 2012 after it failed to show efficacy in an early clinical trial.