iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2022

Identifiers

  • Common name: Phenylurea
  • Canonical SMILES: 
    NC(=O)Nc1ccccc1
  • IUPAC name: 
    phenylurea
  • InChi: 
    InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
  • InChiKey: 
    LUBJCRLGQSPQNN-UHFFFAOYSA-N

External links


6145
CHEMBL168445
PHU

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. PHU

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
CaM / CaMBD2 2.79 schizophrenia (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 136.06 g/mol
HBA 3
HBD 3
HBA + HBD 6
AlogP 0.88
TPSA 55.12
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 PHU

Cellular assay Ca2+ activated potassium channel activity TsA pEC50 (half maximal effective concentration, -log10) 2.79
Ta Structure Name Drugbank ID
0.8750 1,3-diphenylurea DB07496
0.6286 N-phenylthiourea DB03694
0.5957 Triclocarban DB11155
0.5790 Diphenylguanidine DB14191
0.5610 N-[(Aminooxy)Carbonyl]Aniline DB04157
0.5600 Carbarsone DB11382
0.5600 (4-(trifluoromethoxy)phenyl)urea DB15610
0.5476 Acetaminophen DB00316
0.5385 3-Carbamimidamido-1,1-diphenylurea DB07120
0.4722 4-dimethylaminophenol DB13549
0.4510 Phenacetin DB03783
0.4510 Diloxanide DB08792
0.4490 1-[4-(hydroxymethyl)phenyl]guanidine DB06900
0.4444 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea DB04336
0.4444 N-Cyclohexyl-N'-(4-Iodophenyl)Urea DB02029