Details of the Drug

General Information of Drug (ID: DMRDQPT)

Drug Name

2-D08

Synonyms

144707-18-6; 2',3',4'-trihydroxyflavone; 2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one; 2-(2,3,4-Trihydroxyphenyl)-4H-chromen-4-one; SCHEMBL1772778; CHEMBL3115475; AOB4275; SYN5001; AMY31051; BCP18314; EX-A3562; MFCD27995567; s8696; ZINC97439024; CCG-267148; AC-31428; AK312791; AS-16368; HY-114166; 2D08;2 D08; CS-0077855; A16852; 2-(2,3,4-TRIHYDROXYPHENYL)CHROMEN-4-ONE

Indication

Disease Entry	ICD 11	Status	REF
Acute myeloid leukaemia	2A60	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.24

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H10O5
IUPAC Name: 2-(2,3,4-trihydroxyphenyl)chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)O)O)O
InChI: InChI=1S/C15H10O5/c16-10-6-5-9(14(18)15(10)19)13-7-11(17)8-3-1-2-4-12(8)20-13/h1-7,16,18-19H
InChIKey: JJAXTFSPCLZPIW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 22507438
TTD ID: D4UFT5

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Small ubiquitin-related modifier (SUMO)	TTW30FR	SUMO1_HUMAN ; SUMO2_HUMAN ; SUMO3_HUMAN ; SUMO4_HUMAN ; SUMO5_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-D08 as a SUMOylation inhibitor induced ROS accumulation mediates apoptosis of acute myeloid leukemia cells possibly through the deSUMOylation of NOX2. Biochem Biophys Res Commun. 2019 Jun 11;513(4):1063-1069.
2	Inhibiting SUMO1-mediated SUMOylation induces autophagy-mediated cancer cell death and reduces tumour cell invasion via RAC1. J Cell Sci. 2019 Oct 22;132(20):jcs234120.