iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1911

Identifiers

  • Common name: Flufenamic acid
  • Canonical SMILES: 
    OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
  • IUPAC name: 
    2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
  • InChi: 
    InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
  • InChiKey: 
    LPEPZBJOKDYZAD-UHFFFAOYSA-N

External links


3371
CHEMBL23588
FLF
DB02266

External search

Bibliography (1)

Publication Name
Petrassi H. Michael, Klabunde Thomas, Sacchettini James, Kelly Jeffery W.. . Structure-Based Design ofN-Phenyl Phenoxazine Transthyretin Amyloid Fibril Inhibitors Journal of the American Chemical Society. Flu

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
2 0 0 0

Targets

PPI family Best activity Diseases MMoA
TTR 7.52 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 281.07 g/mol
HBA 3
HBD 2
HBA + HBD 5
AlogP 5.25
TPSA 52.16
RB 4
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 2 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/ja993309v Flu TTHY
P02766
Biochemical assay Isothermal Titration Calorimetry Kd1 pKd (dissociation constant, -log10) 7.52
10.1021/ja993309v Flu TTHY
P02766
Biochemical assay Isothermal Titration Calorimetry Kd2 pKd (dissociation constant, -log10) 6.59
Ta Structure Name Drugbank ID
1.0000 Flufenamic acid DB02266
0.8657 O-Trifluoromethylphenyl Anthranilic Acid DB02179
0.8308 Mefenamic acid DB00784
0.7778 Etofenamate DB08984
0.6835 Meclofenamic acid DB00939
0.6667 Tolfenamic acid DB09216
0.6559 Niflumic acid DB04552
0.6224 Flunixin DB11518
0.5667 Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid DB03982
0.5488 2-(cyclohexylamino)benzoic acid DB07038
0.5454 4-(Dimethylamino)benzoic acid DB08748
0.5397 Anthranilic acid DB04166
0.5312 2-[(3,5-Dichloro-4-trioxidanylphenyl)amino]benzoic acid DB04756
0.5268 Floctafenine DB08976
0.5258 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID DB07295