iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2021

Identifiers

  • Common name: 1-EBIO
  • Canonical SMILES: 
    CCn1c2ccccc2[nH]c1=O
  • IUPAC name: 
    1-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
  • InChi: 
    InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
  • InChiKey: 
    CXUCKELNYMZTRT-UHFFFAOYSA-N

External links


82320
CHEMBL452887
0W8

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. 1-EBIO

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
CaM / CaMBD2 3.40 schizophrenia (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 162.08 g/mol
HBA 3
HBD 1
HBA + HBD 4
AlogP 1.55
TPSA 32.34
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 0 1 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1038/ncomms2017 1-EBIO

Cellular assay Ca2+ activated potassium channel activity TsA pIC50 (half maximal inhibitory concentration, -log10) 3.40
Ta Structure Name Drugbank ID
0.5909 Domperidone DB01184
0.5474 Oxatomide DB12877
0.5397 1-Methylcytosine DB04314
0.5385 Benzimidazole DB02962
0.5252 Flibanserin DB04908
0.5213 SP-8203 DB11670
0.5200 Pimozide DB01100
0.5176 Imiquimod DB00724
0.5104 Proquazone DB13649
0.5000 3-Methylcytosine DB04103
0.4944 Chlormidazole DB13611
0.4940 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE DB07972
0.4881 Enprofylline DB00824
0.4860 Bezitramide DB01459
0.4824 Willardiine DB04129