Compound 15
Identifiers
- Canonical SMILES:
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1
- InChi:
InChI=1S/C44H49ClF3N7O4S3/c1-53(2)21-17-34(29-60-36-12-4-3-5-13-36)51-40-16-15-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-20-24-55(28-41(39)49-30-50-43)35-18-22-54(23-19-35)27-32-9-6-7-14-38(32)31-10-8-11-33(45)25-31/h3-16,25-26,30,34-35,51H,17-24,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1
- InChiKey:
SWCUWBBMUCSKHT-UUWRZZSWSA-N
External links
 87251440 |
External search
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Bibliography (1)
| Publication | Name |
|---|---|
| Karen Miller-Moslin, Bakary-Barry Toure, Michael Scott Visser, Naeem Yusuff, Novartis Ag. . Sulfonamides as inhibitors of bcl-2 family proteins for the treatment of cancer None. | 97 |
Pharmacological data
| Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|
| 1 | 0 | 0 | 0 |
Targets
| PPI family | Best activity | Diseases | MMoA |
|---|---|---|---|
| BCL2-Like / BAX | 7.31 | cancer | Inhibition |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 927.26 g/mol | |||
| HBA | 11 | |||
| HBD | 2 | |||
| HBA + HBD | 13 | |||
| AlogP | 6.70 | |||
| TPSA | 127.84 | |||
| RB | 16 |