iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1232

Identifiers

  • Canonical SMILES: 
    NC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(C(N)=O)c1-c1ccc(F)c(Cl)c1)C1CCCCC1
  • InChi: 
    InChI=1S/C24H22Cl2F2N4O2/c25-15-8-6-14(11-18(29)33)21(19(15)28)32-22(13-7-9-17(27)16(26)10-13)20(23(30)34)31-24(32)12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,29,33)(H2,30,34)
  • InChiKey: 
    LWRWRAQJASZHNS-UHFFFAOYSA-N

External links


67032179

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. 503

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 8.15 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 506.11 g/mol
HBA 6
HBD 4
HBA + HBD 10
AlogP 4.00
TPSA 104.00
RB 5
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 503 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 8.15
Ta Structure Name Drugbank ID
0.4812 Azeliragon DB12689
0.4511 N-6022 DB12206
0.4420 Atorvastatin DB01076
0.4318 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4248 PF-232798 DB14813
0.4242 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4237 Flumazenil DB01205
0.4235 Ralimetinib DB11787
0.4202 Vapitadine DB05738
0.4188 Velpatasvir DB11613
0.4187 Cimicoxib DB05095
0.4187 Navoximod DB15439
0.4167 Olmesartan DB00275
0.4160 LY-2584702 DB12690
0.4137 Saprisartan DB01347