Details of the Drug

General Information of Drug (ID: DMO06JV)

Drug Name
Mitoflaxone
Synonyms
Flavone acetic acid; flavone-8-acetic acid; 87626-55-9; LM-975; NSC-347512; Mitoflaxone [INN]; NSC 347512; Mitoflaxonum [INN-Latin]; Mitoflaxona [INN-Spanish]; 4H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-; UNII-X230G6E63B; 2-Phenyl-8-(carboxymethyl)-benzopyran-4-one; NSC347512; 4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid; BRN 4260339; MLS003171055; TZZNWMJZDWYJAZ-UHFFFAOYSA-N; X230G6E63B; Mitoflaxonum; Mitoflaxona; C17H12O4; Flavoneacetic acid; LM 975; Flavone-8- acetic acid; AC1L1JPE; NCIStruc2_000951; Flavone acetic acid; FAA, Merck; Flavone acetic acid, Merck; Flavone-8-acetic acid
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 280.27
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H12O4
IUPAC Name
2-(4-oxo-2-phenylchromen-8-yl)acetic acid
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O
InChI
InChI=1S/C17H12O4/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17/h1-8,10H,9H2,(H,19,20)
InChIKey
TZZNWMJZDWYJAZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55748
CAS Number
87626-55-9
TTD ID
D0KN7H
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
von Willebrand factor (VWF) TT3SZBT VWF_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
E3 ubiquitin-protein ligase XIAP OT24GP9B XIAP_HUMAN Drug Response [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
von Willebrand factor (VWF) DTT VWF 2.96E-01 2.47 2.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000745)
2 Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.
3 Expression and prognostic significance of IAP-family genes in human cancers and myeloid leukemias. Clin Cancer Res. 2000 May;6(5):1796-803.