Details of the Drug

General Information of Drug (ID: DMNFADH)

Drug Name
APR-246
Synonyms Eprenetapopt
Indication
Disease Entry ICD 11 Status REF
Ovarian cancer 2C73 Phase 2 [1]
Bladder cancer 2C94 Phase 1/2 [2]
Gastric adenocarcinoma 2B72 Phase 1/2 [2]
Esophageal cancer 2B70 Phase 1 [1]
Myelodysplastic syndrome 2A37 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Preclinical [3]
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Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 199.25
Logarithm of the Partition Coefficient (xlogp) -0.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H17NO3
IUPAC Name
2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
Canonical SMILES
COCC1(C(=O)C2CCN1CC2)CO
InChI
InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3
InChIKey
BGBNULCRKBVAKL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
52918385
CAS Number
5291-32-7
DrugBank ID
DB11684
TTD ID
D03XTY
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cellular tumor antigen p53 (TP53) TT7SBF5 P53_HUMAN Stimulator [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
14-3-3 protein gamma OTYQTMPI 1433G_HUMAN Gene/Protein Processing [5]
A disintegrin and metalloproteinase with thrombospondin motifs 10 (ADAMTS10) OTNJ9VSU ATS10_HUMAN Gene/Protein Processing [5]
A-kinase anchor protein 9 (AKAP9) OT7Z2YRP AKAP9_HUMAN Gene/Protein Processing [5]
Amiloride-sensitive sodium channel subunit alpha (SCNN1A) OTE2KVZV SCNNA_HUMAN Gene/Protein Processing [5]
Anillin (ANLN) OTXJY54C ANLN_HUMAN Gene/Protein Processing [5]
AP-1 complex subunit beta-1 (AP1B1) OTY0K84R AP1B1_HUMAN Gene/Protein Processing [5]
AP-3 complex subunit sigma-2 (AP3S2) OTN8P9OE AP3S2_HUMAN Gene/Protein Processing [5]
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [5]
Astrocytic phosphoprotein PEA-15 (PEA15) OTKCKTSX PEA15_HUMAN Gene/Protein Processing [5]
ATP-dependent RNA helicase DDX54 (DDX54) OTVOJU6G DDX54_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Ovarian cancer
ICD Disease Classification 2C73
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cellular tumor antigen p53 (TP53) DTT TP53 7.01E-01 0.06 0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT04383938) Phase 1/2 Study of APR-246 in Combination With Pembrolizumab in Subjects With Solid Tumor Malignancies. U.S. National Institutes of Health.
3 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800030246)
4 APR-246/PRIMA-1MET inhibits thioredoxin reductase 1 and converts the enzyme to a dedicated NADPH oxidase. Cell Death Dis. 2013 Oct 24;4:e881.
5 Mutant p53 reactivation by PRIMA-1MET induces multiple signaling pathways converging on apoptosis. Oncogene. 2010 Mar 4;29(9):1329-38. doi: 10.1038/onc.2009.425. Epub 2009 Nov 30.