iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1984

Identifiers

  • Canonical SMILES: 
    CN1C(=O)C(=Nc2ccccc2)c2ccccc12
  • IUPAC name: 
    1-methyl-3-(phenylimino)-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)14(15(17)18)16-11-7-3-2-4-8-11/h2-10H,1H3
  • InChiKey: 
    LUEXNLDVPSVDKD-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. 2b

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 4.96 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 236.09 g/mol
HBA 3
HBD 0
HBA + HBD 3
AlogP 2.98
TPSA 32.67
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
10.1016/j.bmcl.2009.03.004 2b TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 4.96
Ta Structure Name Drugbank ID
0.9074 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.5489 Metisazone DB13641
0.5089 Isatin DB02095
0.5000 Oxyphenisatin DB04823
0.4874 Ropinirole DB00268
0.4841 Amedalin DB09188
0.4580 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4574 Pyroquilon DB02756
0.4574 Oxyphenisatin acetate DB14627
0.4493 Linopirdine DB13806
0.4390 AR-42 DB12707
0.4336 Nordazepam DB14028
0.4336 Diazepam DB00829
0.4333 Pactimibe DB12971
0.4324 Delorazepam DB01511