iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1983

Identifiers

  • Canonical SMILES: 
    CN1C(=O)C(=O)c2ccccc12
  • IUPAC name: 
    1-methyl-2,3-dihydro-1H-indole-2,3-dione
  • InChi: 
    InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
  • InChiKey: 
    VCYBVWFTGAZHGH-UHFFFAOYSA-N

External links


16358
CHEMBL60569
72V

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. 1b

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 161.05 g/mol
HBA 3
HBD 0
HBA + HBD 3
AlogP 0.82
TPSA 37.38
RB 0
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 1b TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.20
Ta Structure Name Drugbank ID
0.9718 Isatin DB02095
0.6667 Oxyphenisatin DB04823
0.6264 Ropinirole DB00268
0.6087 AR-42 DB12707
0.5960 Amedalin DB09188
0.5743 Oxyphenisatin acetate DB14627
0.5728 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.5556 2-(Oxalyl-Amino)-Benzoic Acid DB02622
0.5494 3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid DB01734
0.5454 Diampromide DB01502
0.5405 Linopirdine DB13806
0.5375 Tocainide DB01056
0.5364 ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE DB07332
0.5354 Oxcarbazepine DB00776
0.5275 ��-Methylfentanyl DB09171