iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1475

Identifiers

  • Canonical SMILES: 
    C1Cc2cc(Nc3ccc(Nc4ccncc4)cc3)ccc2N1
  • InChi: 
    InChI=1S/C19H18N4/c1-3-16(4-2-15(1)22-17-8-10-20-11-9-17)23-18-5-6-19-14(13-18)7-12-21-19/h1-6,8-11,13,21,23H,7,12H2,(H,20,22)
  • InChiKey: 
    SZLLILAILCFIFX-UHFFFAOYSA-N

External links


168317947

External search

Bibliography (1)

Publication Name
Jean Fernand Armand Lacrampe, Christophe Meyer, Bruno Schoentjes, Delphine Yvonne Raymonde Lardeau, Alain Philippe Poncelet, Hijfte Luc Van, Janssen Pharmaceutica N.V.. . Inhibitors of the interaction between mdm2 and p53 None. 4

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 1 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 302.15 g/mol
HBA 4
HBD 3
HBA + HBD 7
AlogP 3.15
TPSA 48.98
RB 4
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 1 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
WO2007107543 4 MDM2
Q00987
Biochemical assay ELISA pIC50 (half maximal inhibitory concentration, -log10) 6.00
WO2007107543 4 MDM2
Q00987
Cellular assay Proliferation assay U87MG cells pIC50 (half maximal inhibitory concentration, -log10) 5.85
Ta Structure Name Drugbank ID
0.7093 Serdemetan DB12027
0.5747 (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE DB06890
0.5506 Daledalin DB09189
0.5208 Ropinirole DB00268
0.5161 Fenyramidol DB13414
0.5148 Etymemazine DB11517
0.5089 Linopirdine DB13806
0.4886 Aprindine DB01429
0.4778 Imipramine DB00458
0.4778 Trimipramine DB00726
0.4778 Desipramine DB01151
0.4773 Dimetacrine DB08996
0.4767 Dimethyltryptamine DB01488
0.4750 TACRINE(8)-4-AMINOQUINOLINE DB04616
0.4750 (9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM DB04617