iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2023

Identifiers

  • Common name: NS309
  • Canonical SMILES: 
    ON=C1C(=O)Nc2c1ccc(Cl)c2Cl
  • IUPAC name: 
    6,7-dichloro-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
  • InChi: 
    InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)
  • InChiKey: 
    CVOUSAVHMDXCKG-UHFFFAOYSA-N

External links


11637204
CHEMBL499968
1KP

External search

Bibliography (1)

Publication Name
Zhang Miao, Pascal John M., Schumann Marcel, Armen Roger S., Zhang Ji-Fang. . Identification of the functional binding pocket for compounds targeting small-conductance Ca2+-activated potassium channels Nature Communications. NS309

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
CaM / CaMBD2 6.36 schizophrenia (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 229.96 g/mol
HBA 4
HBD 2
HBA + HBD 6
AlogP 2.17
TPSA 64.52
RB 0
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 0 1 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1038/ncomms2017 NS309

Cellular assay Ca2+ activated potassium channel activity TsA pEC50 (half maximal effective concentration, -log10) 6.36
Ta Structure Name Drugbank ID
0.5105 (3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One DB03650
0.4897 Metisazone DB13641
0.4850 Ziprasidone DB00246
0.4692 Lorcainide DB13653
0.4672 Isatin DB02095
0.4496 Ropinirole DB00268
0.4488 Oxyphenisatin DB04823
0.4380 Amedalin DB09188
0.4378 Indirubin-3'-monoxime DB02052
0.4324 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID DB07085
0.4286 (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime DB08011
0.4238 Nordazepam DB14028
0.4238 Diazepam DB00829
0.4219 Butanilicaine DB13328
0.4143 Oxyphenisatin acetate DB14627