iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1587

Identifiers

  • Canonical SMILES: 
    Cc1ccc(Cl)cc1-n1c(CC(C)(C)C)nc(-c2nn[nH]n2)c1-c1ccc(F)c(Cl)c1
  • InChi: 
    InChI=1S/C22H21Cl2FN6/c1-12-5-7-14(23)10-17(12)31-18(11-22(2,3)4)26-19(21-27-29-30-28-21)20(31)13-6-8-16(25)15(24)9-13/h5-10H,11H2,1-4H3,(H,27,28,29,30)
  • InChiKey: 
    FSTVGPKOIMMQPO-UHFFFAOYSA-N

External links


67033849

External search

Bibliography (1)

Publication Name
Guido Bold, Pascal Furet, François GESSIER, Joerg Kallen, Lisztwan Joanna Hergovich, Keiichi Masuya, Andrea Vaupel, Novartis Ag. . Tetra-substituted heteroaryl compounds and their use as mdm2 and/or mdm4 modulators None. 252

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 7.25 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 458.12 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 7.16
TPSA 72.28
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 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
WO2011023677 252 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 7.25
Ta Structure Name Drugbank ID
0.5433 Azeliragon DB12689
0.4562 Losartan DB00678
0.4534 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4506 LY-2584702 DB12690
0.4496 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4495 Cimicoxib DB05095
0.4474 Ralimetinib DB11787
0.4392 N-6022 DB12206
0.4273 Olmesartan DB00275
0.4208 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine DB01761
0.4000 4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole DB03980
0.4000 Selonsertib DB14916
0.4000 Midazolam DB00683
0.3990 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE DB08522
0.3942 Forasartan DB01342