iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1987

Identifiers

  • Canonical SMILES: 
    COc1ccc(cc1)N=C1C(=O)N(C)c2ccccc12
  • IUPAC name: 
    3-[(4-methoxyphenyl)imino]-1-methyl-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C16H14N2O2/c1-18-14-6-4-3-5-13(14)15(16(18)19)17-11-7-9-12(20-2)10-8-11/h3-10H,1-2H3
  • InChiKey: 
    JWDGSAISZIKHKI-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. 2g

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 5.11 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 266.11 g/mol
HBA 4
HBD 0
HBA + HBD 4
AlogP 2.82
TPSA 41.90
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 2g TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.11
Ta Structure Name Drugbank ID
0.9298 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.5303 Oxyphenisatin acetate DB14627
0.5161 Oxyphenisatin DB04823
0.4966 Metisazone DB13641
0.4851 Efaproxiral DB08486
0.4532 Pyroquilon DB02756
0.4524 Isatin DB02095
0.4490 (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime DB08011
0.4470 Ropinirole DB00268
0.4430 IC261 DB03083
0.4357 Amedalin DB09188
0.4351 4-amino-N-[4-(benzyloxy)phenyl]butanamide DB07104
0.4336 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4314 Bisoxatin DB09219
0.4224 Pactimibe DB12971