Details of the Drug

General Information of Drug (ID: DMLXKZH)

Drug Name
EUPAFOLIN
Synonyms
6-Methoxyluteolin; 520-11-6; Nepetin; EUPAFOLIN; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one; Eurafolin; UNII-I3O7LF3GED; I3O7LF3GED; CHEMBL172350; NSC122416; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one; SMR000440634; Pedaltin; NSC 122416; AC1NSVCV; MLS000728561; MLS000877025; SCHEMBL828390; MEGxp0_000458; cid_5317284; ACon1_000516; BDBM23412; DTXSID10199959; FHHSEFRSDKWJKJ-UHFFFAOYSA-N; REGID_for_CID_5317284
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.26
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H12O7
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
Canonical SMILES
COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
InChIKey
FHHSEFRSDKWJKJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5317284
CAS Number
520-11-6
TTD ID
D03MLC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium M1-family aminopeptidase (Malaria MFA) TT86VZE AMP1_PLAFQ Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.