Compound 471
Identifiers
- Canonical SMILES:
Fc1cccc(F)c1N[C@@]1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc12
- IUPAC name:
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one
- InChi:
InChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1
- InChiKey:
FUFYOQRYQLCEGB-OAQYLSRUSA-N
External links
 155512750 |
 CHEMBL4437666 |
External search
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Bibliography (1)
| Publication | Name |
|---|---|
| Li Chen, Jing Zhang, Zhuming Zhang, Song Yang, F. Hoffmann-La Roche Ag. . Oxindole derivatives as anticancer agents None. | 6 |
Pharmacological data
| Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|
| 1 | 0 | 0 | 0 |
Targets
| PPI family | Best activity | Diseases | MMoA |
|---|---|---|---|
| MDM2-Like / P53 | 8.93 | cancer | Inhibition |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 418.05 g/mol | |||
| HBA | 3 | |||
| HBD | 2 | |||
| HBA + HBD | 5 | |||
| AlogP | 5.90 | |||
| TPSA | 41.13 | |||
| RB | 4 |
Radar chart
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 |
|---|---|---|---|---|
| 1 | 1 | 0 | 0 | 0 |
Pharmacological data
| Bibliography | Name | Target | Competition | Assay type | Assay name | Cell line | Activity type | Activity |
|---|---|---|---|---|---|---|---|---|
| WO2008034736 | 6 | MDM2 Q00987 |
|
Biochemical assay | Time-Resolved FRET | pIC50 (half maximal inhibitory concentration, -log10) | 8.93 |
| Ta | Structure | Name | Drugbank ID |
|---|---|---|---|
| 0.5745 | 3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone | DB02058 | |
| 0.5365 | SAR-405838 | DB12541 | |
| 0.5241 | OPC-51803 | DB05838 | |
| 0.5197 | Linopirdine | DB13806 | |
| 0.4976 | MK-3207 | DB12424 | |
| 0.4826 | OPC-14523 | DB05422 | |
| 0.4817 | Bentiromide | DB00522 | |
| 0.4804 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | DB07608 | |
| 0.4747 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | DB07085 | |
| 0.4730 | Amedalin | DB09188 | |
| 0.4680 | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE | DB07332 | |
| 0.4667 | Cipargamin | DB12306 | |
| 0.4600 | Pyroquilon | DB02756 | |
| 0.4540 | LGD-6972 | DB14779 | |
| 0.4464 | Milademetan | DB15257 |