iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1940

Identifiers

  • Canonical SMILES: 
    Clc1cccc(Nc2ccc3ccccc3c2)c1
  • IUPAC name: 
    N-(3-chlorophenyl)naphthalen-2-amine
  • InChi: 
    InChI=1S/C16H12ClN/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16/h1-11,18H
  • InChiKey: 
    XEYHIIBYEOWKLL-UHFFFAOYSA-N

External links


79528
CHEMBL395633

External search

Bibliography (1)

Publication Name
Wendt Michael D., Sun Chaohong, Kunzer Aaron, Sauer Daryl, Sarris Kathy, Hoff Ethan, Yu Liping, Nettesheim David G., Chen Jun, Jin Sha, Comess Kenneth M., Fan Yihong, Anderson Steven N., Isaac Binumol, Olejniczak Edward T., Hajduk Philip J., Rosenberg Saul H., Elmore Steven W.. . Discovery of a novel small molecule binding site of human survivin Bioorganic & Medicinal Chemistry Letters. 3

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
Survivin dimer 5.00 cancer Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 253.07 g/mol
HBA 1
HBD 1
HBA + HBD 2
AlogP 5.01
TPSA 12.03
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.2007.03.042 3 BIRC5
O15392
Biochemical assay NMR chemical-shift perturbation pKd (dissociation constant, -log10) 5.00
Ta Structure Name Drugbank ID
0.5510 m-Chlorophenylpiperazine DB12110
0.5122 4-(Isopropylamino)diphenylamine DB14195
0.5094 Triclocarban DB11155
0.5079 Tolfenamic acid DB09216
0.4384 Clobazam DB00349
0.4348 Dinitrochlorobenzene DB11831
0.4146 4-dimethylaminophenol DB13549
0.4051 Clomipramine DB01242
0.4000 Chlorpromazine DB00477
0.3939 9-Aminophenanthrene DB03369
0.3939 Aminoanthracene DB01976
0.3919 Diclofenac DB00586
0.3919 Meclofenamic acid DB00939
0.3913 Chlorproguanil DB12314
0.3889 N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine DB08331