iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1985

Identifiers

  • Canonical SMILES: 
    CN1C(=O)C(=Nc2ccc(C)cc2)c2ccccc12
  • IUPAC name: 
    1-methyl-3-[(4-methylphenyl)imino]-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C16H14N2O/c1-11-7-9-12(10-8-11)17-15-13-5-3-4-6-14(13)18(2)16(15)19/h3-10H,1-2H3
  • InChiKey: 
    ISVODKXPQNTMCZ-UHFFFAOYSA-N

External links


2816035

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. 2e

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 250.11 g/mol
HBA 3
HBD 0
HBA + HBD 3
AlogP 3.49
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 2e TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.20
Ta Structure Name Drugbank ID
0.8909 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.5407 Metisazone DB13641
0.5133 Isatin DB02095
0.4915 Oxyphenisatin DB04823
0.4793 Ropinirole DB00268
0.4766 Amedalin DB09188
0.4621 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4532 Linopirdine DB13806
0.4504 Pyroquilon DB02756
0.4504 Oxyphenisatin acetate DB14627
0.4436 AR-42 DB12707
0.4371 Pactimibe DB12971
0.4276 Nordazepam DB14028
0.4276 Diazepam DB00829
0.4267 Delorazepam DB01511