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]
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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

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
E3 ubiquitin-protein ligase XIAP	OT24GP9B	XIAP_HUMAN	Drug Response	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.