iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1724

Identifiers

  • Canonical SMILES: 
    Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
  • IUPAC name: 
    luteolin
  • 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

External links


5280445
CHEMBL151
LU2
DB15584

External search

Bibliography (1)

Publication Name
Li BW, Zhang FH, Serrao E, Chen H, Sanchez TW, Yang LM, Neamati N, Zheng YT, Wang H, Long YQ. . Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75. Bioorganic & medicinal chemistry. 3

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
LEDGF / IN 6.35 HIV infectious disease Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 286.05 g/mol
HBA 6
HBD 4
HBA + HBD 10
AlogP 2.40
TPSA 107.22
RB 1
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
24794743 3 PSIP1
O75475
Biochemical assay alphascreen MT-4 pIC50 (half maximal inhibitory concentration, -log10) 6.35
Ta Structure Name Drugbank ID
1.0000 Tricetin DB08230
1.0000 Luteolin DB15584
0.9326 Apigenin DB07352
0.9271 Diosmetin DB11259
0.8989 Chrysin DB15581
0.8812 Quercetin DB04216
0.8812 Myricetin DB02375
0.8600 Fisetin DB07795
0.8485 Hispidulin DB14008
0.8300 Kaempherol DB01852
0.7479 Recoflavone DB12058
0.7191 beta-Naphthoflavone DB06732
0.7191 alpha-Naphthoflavone DB07453
0.7191 Flavone DB07776
0.7120 Quercetin-3'-O-phosphate DB12937