iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 29

Identifiers

  • Canonical SMILES:
    CCOc1cc(Nc2ccnc3[C@H](O)CCCc23)ccc1NCCc1c[nH]c2cc(OC)ccc12
  • IUPAC name:
    4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol
  • InChi:
    InChI=1S/C28H32N4O3/c1-3-35-27-15-19(32-23-12-14-30-28-22(23)5-4-6-26(28)33)7-10-24(27)29-13-11-18-17-31-25-16-20(34-2)8-9-21(18)25/h7-10,12,14-17,26,29,31,33H,3-6,11,13H2,1-2H3,(H,30,32)/t26-/m1/s1
  • InChiKey:
    UQZCXLZZFZIPMT-AREMUKBSSA-N

External links


59555725

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. 197

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 7.00 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 472.25 g/mol
HBA 7
HBD 4
HBA + HBD 11
AlogP 4.28
TPSA 91.43
RB 9
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle