Details of the Drug

General Information of Drug (ID: DMTYXQF)

Drug Name
NVP-AUY922
Synonyms
Luminespib; 747412-49-3; AUY922; VER-52296; AUY-922; UNII-C6V1DAR5EB; AUY922 (NVP-AUY922); Luminespib (NVP-AUY922); NVP-AUY 922; 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide; C6V1DAR5EB; Luminespib (AUY-922, NVP-AUY922); CHEBI:83656; 5-[2,4-DIHYDROXY-5-ISOPROPYLPHENYL]-N-ETHYL-4-[4-(4-MORPHOLINYLMETHYL)PHENYL]-3-ISOXAZOLECARBOXAMIDE; AK174786; 5-[2,4-Dihydroxy-5-(1-Methylethyl)phenyl]-N-Ethyl-4-[4-(Morpholin-4-Ylmethyl)phenyl]isoxazole-3-Carboxamide
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 465.5
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H31N3O5
IUPAC Name
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
Canonical SMILES
CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C
InChI
InChI=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)
InChIKey
NDAZATDQFDPQBD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135539077
ChEBI ID
CHEMBL83656
CAS Number
747412-49-3
UNII
G1G66XE93W
DrugBank ID
DB11881
TTD ID
D05BYA
VARIDT ID
DR00742
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Heat shock protein 90 alpha (HSP90A) TT78R5H HS90A_HUMAN Inhibitor [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Anterior gradient protein 2 homolog (AGR2) OTRRZT7W AGR2_HUMAN Gene/Protein Processing [4]
ATP synthase subunit beta, mitochondrial (ATP5F1B) OTLFZUQK ATPB_HUMAN Gene/Protein Processing [4]
Cingulin (CGN) OTBCQ8AQ CING_HUMAN Gene/Protein Processing [4]
Echinoderm microtubule-associated protein-like 5 (EML5) OT0EFCPB EMAL5_HUMAN Gene/Protein Processing [4]
Elongation factor 2 (EEF2) OTZ7SZ39 EF2_HUMAN Gene/Protein Processing [4]
Eukaryotic translation initiation factor 3 subunit I (EIF3I) OTE07WND EIF3I_HUMAN Gene/Protein Processing [4]
Fibroblast growth factor 1 (FGF1) OT8I64X8 FGF1_HUMAN Gene/Protein Processing [4]
Hepatocyte growth factor receptor (MET) OT7K55MU MET_HUMAN Gene/Protein Processing [5]
Hypoxia up-regulated protein 1 (HYOU1) OTBGBSOV HYOU1_HUMAN Gene/Protein Processing [4]
Interleukin enhancer-binding factor 3 (ILF3) OTKMZ5K5 ILF3_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Multiple myeloma
ICD Disease Classification 2A83
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Heat shock protein 90 alpha (HSP90A) DTT HSP90AA1 3.96E-01 0.18 0.48
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01854034) Phase 2 Study of AUY922 in NSCLC Patients With Exon 20 Insertion Mutations in EGFR. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027019)
3 Recent advances in Hsp90 inhibitors as antitumor agents. Anticancer Agents Med Chem. 2008 Oct;8(7):761-82.
4 Impact of Heat Shock Protein 90 Inhibition on the Proteomic Profile of Lung Adenocarcinoma as Measured by Two-Dimensional Electrophoresis Coupled with Mass Spectrometry. Cells. 2019 Jul 31;8(8):806. doi: 10.3390/cells8080806.
5 Gene expression-based chemical genomics identifies heat-shock protein 90 inhibitors as potential therapeutic drugs in cholangiocarcinoma. Cancer. 2013 Jan 15;119(2):293-303. doi: 10.1002/cncr.27743. Epub 2012 Jul 18.