iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 12

Identifiers

  • Canonical SMILES:
    Oc1c(Cl)cc(Cl)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
  • IUPAC name:
    3,5-dichloro-N-[[4-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
  • InChi:
    InChI=1S/C34H26Cl4F2N2O6S2/c35-25-13-29(37)33(43)31(15-25)49(45,46)41(19-23-5-9-27(39)10-6-23)17-21-1-2-22(4-3-21)18-42(20-24-7-11-28(40)12-8-24)50(47,48)32-16-26(36)14-30(38)34(32)44/h1-16,43-44H,17-20H2
  • InChiKey:
    UTRDJZHGWZOLRH-UHFFFAOYSA-N

External links


58531371

External search

Bibliography (1)

Publication Name
Kyoung S. Kim, Robert M. Borzilleri, Zhen-Wei Cai, Kap-Sun Yeung, Bristol-Myers Squibb Company. . Hydroxyphenylsulfonamides as antiapoptotic bcl inhibitors None. 96

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
2 0 0 0

Targets

PPI family Best activity Diseases MMoA
BCL2-Like / BAX 8.00 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 800.00 g/mol
HBA 8
HBD 2
HBA + HBD 10
AlogP 9.07
TPSA 115.22
RB 10
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle