Details of the Drug

General Information of Drug (ID: DMR8YD6)

Drug Name
B-Lactams
Synonyms
Luteolin; luteolin; 491-70-3; Luteolol; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Luteoline; Digitoflavone; Flacitran; Weld Lake; Cyanidenon 1470; Salifazide; Yama kariyasu; 5,7,3',4'-Tetrahydroxyflavone; UNII-KUX1ZNC9J2; CI Natural Yellow 2; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; 7-Tetrahydroxyflavone; CCRIS 3790; EINECS 207-741-0; KUX1ZNC9J2; CHEMBL151; BRN 0292084; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 286.24
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H10O6
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Canonical SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKey
IQPNAANSBPBGFQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5280445
ChEBI ID
CHEMBL151
CAS Number
491-70-3
TTD ID
D04AIT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetyl-CoA:lyso-PAF acetyltransferase (PCAT) TTPOI4B PCAT1_HUMAN ; PCAT2_HUMAN Inhibitor [2]
Bacterial DD-carboxypeptidase (Bact vanYB) TTLP6GN VANY_ENTFA Inhibitor [1]
DNA topoisomerase I (TOP1) TTGTQHC TOP1_HUMAN Inhibitor [3]
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Molecular Expression Atlas of This Drug

The Studied Disease Bacterial infection
ICD Disease Classification 1A00-1C4Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
DNA topoisomerase I (TOP1) DTT TOP1 6.65E-01 0.2 0.39
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Has nature already identified all useful antibacterial targets Curr Opin Microbiol. 2008 Oct;11(5):387-92.
2 Inhibition of lysoPAF acetyltransferase activity by flavonoids. Inflamm Res. 1996 Nov;45(11):546-9.
3 Luteolin, an emerging anti-cancer flavonoid, poisons eukaryotic DNA topoisomerase I. Biochem J. 2002 Sep 1;366(Pt 2):653-61.