iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1989

Identifiers

  • Canonical SMILES: 
    CN1C(=O)C(=Nc2ccc(cc2)N(=O)=O)c2ccccc12
  • IUPAC name: 
    1-methyl-3-[(4-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C15H11N3O3/c1-17-13-5-3-2-4-12(13)14(15(17)19)16-10-6-8-11(9-7-10)18(20)21/h2-9H,1H3
  • InChiKey: 
    PYLUXVAFFHTNRU-UHFFFAOYSA-N

External links


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External search

Bibliography (1)

Publication Name
González Asensio, Quirante Josefina, Nieto Joan, Almeida Maria Rosário, Saraiva Maria Joao, Planas Antoni, Arsequell Gemma, Valencia Gregorio. . Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors Bioorganic & Medicinal Chemistry Letters. 2s

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 5.20 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 281.08 g/mol
HBA 6
HBD 0
HBA + HBD 6
AlogP 2.92
TPSA 78.49
RB 2
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
10.1016/j.bmcl.2009.03.004 2s TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.20
Ta Structure Name Drugbank ID
0.8305 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.5105 Metisazone DB13641
0.4793 Isatin DB02095
0.4603 Oxyphenisatin DB04823
0.4496 Ropinirole DB00268
0.4494 Nitrazepam DB01595
0.4485 Amedalin DB09188
0.4348 Pyroquilon DB02756
0.4294 Clonazepam DB01068
0.4255 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4245 Oxyphenisatin acetate DB14627
0.4235 Flunitrazepam DB01544
0.4189 Linopirdine DB13806
0.4062 Pactimibe DB12971
0.4060 AR-42 DB12707