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
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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 |