iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1988

Identifiers

  • Canonical SMILES: 
    O=C1Nc2ccccc2C1=Nc1ccc(cc1)N(=O)=O
  • IUPAC name: 
    3-[(4-nitrophenyl)imino]-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C14H9N3O3/c18-14-13(11-3-1-2-4-12(11)16-14)15-9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
  • InChiKey: 
    HVXOHQAYPDOUFI-UHFFFAOYSA-N

External links


554870
CHEMBL570013

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. 2r

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
TTR 5.55 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 267.06 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 3.05
TPSA 87.28
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 2r TTHY
P02766
Biochemical assay Kinetic turbidimetric pIC50 (half maximal inhibitory concentration, -log10) 5.55
Ta Structure Name Drugbank ID
0.8448 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.4965 Metisazone DB13641
0.4874 Isatin DB02095
0.4567 Ropinirole DB00268
0.4560 Oxyphenisatin DB04823
0.4459 Nitrazepam DB01595
0.4338 Amedalin DB09188
0.4307 Pyroquilon DB02756
0.4214 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone DB02058
0.4203 Oxyphenisatin acetate DB14627
0.4201 Flunitrazepam DB01544
0.4176 Clonazepam DB01068
0.4122 AR-42 DB12707
0.4104 Lorcainide DB13653
0.4091 Beta-hydroxyfentanyl DB01453