iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 6

Identifiers

  • Canonical SMILES:
    CCOC(=O)c1cnn(c1NC(=O)c1cc2nc(cc(n2n1)C(F)(F)Cl)-c1ccco1)-c1ccccc1
  • IUPAC name:
    ethyl 5-[[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
  • InChi:
    InChI=1S/C24H17ClF2N6O4/c1-2-36-23(35)15-13-28-32(14-7-4-3-5-8-14)21(15)30-22(34)17-12-20-29-16(18-9-6-10-37-18)11-19(24(25,26)27)33(20)31-17/h3-13H,2H2,1H3,(H,30,34)
  • InChiKey:
    YPPNLSKYXDXQGD-UHFFFAOYSA-N

External links


1045147

CHEMBL3222135

896872

External search

Bibliography (1)

Publication Name
Kiessling A, Wiesinger R, Sperl B, Berg T. . Selective inhibition of c-Myc/Max dimerization by a pyrazolo[1,5-a]pyrimidine. ChemMedChem. 1

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
Myc / Max 4.57 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 526.10 g/mol
HBA 10
HBD 1
HBA + HBD 11
AlogP 5.41
TPSA 116.55
RB 8
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle