iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2020 - This compound has not been validated by a curator yet, data might be incomplete or inaccurate

Identifiers

  • Canonical SMILES: 
    C1(=O)CN(CCN1)C(=O)N1C(=N[C@H]([C@H]1c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1c(cc(cc1)OC)OC(C)C
  • InChi: 
    InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
  • InChiKey: 
    BDUHCSBCVGXTJM-WUFINQPMSA-N

External links


11433190
CHEMBL191334
AU0

External search
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW not available
HBA not available
HBD not available
HBA + HBD not available
AlogP not available
TPSA not available
RB not available
Radar chart

Compound properties unavailable

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
0 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
0.9684 Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone DB04144
0.8614 Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone DB02872
0.8178 RO-5045337 DB14793
0.4231 Idanpramine DB13276
0.4035 PCO-371 DB14946
0.3930 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE DB07117
0.3852 PRI-724 DB15034
0.3846 Ganirelix DB06785
0.3836 Copanlisib DB12483
0.3828 I-Coeleneterazine DB04146
0.3824 Sorbinil DB02712
0.3817 Timcodar DB12761
0.3787 N-Coeleneterazine DB04118
0.3745 RU85493 DB01908
0.3738 Tiropramide DB13091