iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 30

Identifiers

  • Canonical SMILES:
    CC(=O)OCc1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1
  • IUPAC name:
    [4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridin-2-yl]methyl acetate
  • InChi:
    InChI=1S/C24H24N4O2/c1-17(29)30-16-22-14-21(11-13-26-22)28-20-8-6-19(7-9-20)25-12-10-18-15-27-24-5-3-2-4-23(18)24/h2-9,11,13-15,25,27H,10,12,16H2,1H3,(H,26,28)
  • InChiKey:
    HNIBHRJQYPVYBO-UHFFFAOYSA-N

External links


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External search

Bibliography (1)

Publication Name
Jean Fernand Armand Lacrampe, Christophe Meyer, Yannick Aimé Eddy LIGNY, Imre Christian Francis Csoka, Hijfte Luc Van, Janine Arts, Bruno Schoentjes, Camille Georges Wermuth, Bruno Giethlen, Jean-Marie Contreras, Muriel Joubert, Janssen Pharmaceutica N.V.. . Inhibitors of the interaction between mdm2 and p53 None. 151

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.00 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 400.19 g/mol
HBA 6
HBD 3
HBA + HBD 9
AlogP 3.54
TPSA 79.04
RB 9
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle