iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1986

Identifiers

  • Canonical SMILES: 
    COc1ccc(cc1)N=C1C(=O)Nc2ccccc12
  • IUPAC name: 
    3-[(4-methoxyphenyl)imino]-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
  • InChiKey: 
    PXSATUQXASGWQE-UHFFFAOYSA-N

External links


489554
CHEMBL378695

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. 2f

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 5.09 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 252.09 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 2.96
TPSA 50.69
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 2f TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.09
Ta Structure Name Drugbank ID
0.9464 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.5267 Oxyphenisatin acetate DB14627
0.5122 Oxyphenisatin DB04823
0.4924 Efaproxiral DB08486
0.4830 Metisazone DB13641
0.4597 Isatin DB02095
0.4538 Ropinirole DB00268
0.4493 Pyroquilon DB02756
0.4487 IC261 DB03083
0.4419 4-amino-N-[4-(benzyloxy)phenyl]butanamide DB07104
0.4388 (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime DB08011
0.4371 Bisoxatin DB09219
0.4296 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4237 SU9516 DB03428
0.4231 Bisoxatin acetate DB14654