iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2470

Identifiers

  • Canonical SMILES: 
    NC(=O)c1cccc2C(=O)c3ccccc3-c12
  • IUPAC name: 
    9-oxo-9H-fluorene-4-carboxamide
  • InChi: 
    InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
  • InChiKey: 
    PRROCNFTWSJBTJ-UHFFFAOYSA-N

External links


297677
CHEMBL5219398
R6T

External search

Bibliography (1)

Publication Name
Li Xiao-Ping, Harijan Rajesh K., Kahn Jennifer N., Schramm Vern L., Tumer Nilgun E.. . Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes ACS Infectious Diseases. BTB13068

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
RTA / 60S ribosomal subunit 3.82 toxin Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 223.06 g/mol
HBA 3
HBD 2
HBA + HBD 5
AlogP 1.96
TPSA 60.16
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
10.1021/acsinfecdis.0c00127 BTB13068 RICI
P02879 		RLA2
P05387 		Biochemical assay Surface Plasmon Resonance pKd (dissociation constant, -log10) 3.82
Ta Structure Name Drugbank ID
0.4839 Hexafluronium DB00941
0.4771 Genz-10850 DB04289
0.4634 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid DB04583
0.4348 1-biphenyl-2-ylmethanamine DB07412
0.4300 (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid DB07201
0.4300 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid DB07240
0.4125 Benmoxin DB09246
0.4074 Dexketoprofen DB09214
0.4074 Ketoprofen DB01009
0.4065 Pyrazolanthrone DB01782
0.4021 (4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone DB03234
0.3957 Lomitapide DB08827
0.3939 N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide DB07835
0.3913 Nepafenac DB06802
0.3913 Benzophenone DB01878