iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1661

Identifiers

  • Common name: C4
  • Canonical SMILES: 
    CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
  • IUPAC name: 
    chloropyramine
  • InChi: 
    InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
  • InChiKey: 
    ICKFFNBDFNZJSX-UHFFFAOYSA-N

External links


25295
CHEMBL1194287
C4C
DB08800

External search

Bibliography (1)

Publication Name
Gogate PN, Ethirajan M, Kurenova EV, Magis AT, Pandey RK, Cance WG. . Design, synthesis, and biological evaluation of novel FAK scaffold inhibitors targeting the FAK-VEGFR3 protein-protein interaction. European journal of medicinal chemistry. 1

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
FAK / VEGFR3 6.24 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 289.13 g/mol
HBA 3
HBD 0
HBA + HBD 3
AlogP 3.81
TPSA 19.37
RB 6
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
24780592 1 FAK1
Q05397
Biochemical assay Octet Red Assay pKd (dissociation constant, -log10) 6.24
Ta Structure Name Drugbank ID
1.0000 Chloropyramine DB08800
0.8861 Tripelennamine DB00792
0.7609 Mepyramine DB06691
0.5963 Methapyrilene DB04819
0.5354 Thonzylamine DB11235
0.5326 N~3~-BENZYLPYRIDINE-2,3-DIAMINE DB07281
0.5222 Histapyrrodine DB13479
0.5038 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine DB03916
0.4964 Esmirtazapine DB06678
0.4964 Mirtazapine DB00370
0.4872 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE DB07809
0.4762 Antazoline DB08799
0.4750 Azaperone DB11376
0.4713 MSX-122 DB12715
0.4685 Atevirdine DB12264