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]
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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: CHEBI:15864
CAS Number: 491-70-3
TTD ID: D04AIT

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.