| General Property |
| Molceule ID (DB) | EGIN0003040 |
| Inhibitor Class | Indolinone |
| Molecule Name in Refrence Article | BIBF 1120 |
| IUPAC Name | methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate |
| Formula | C31H33N5O4 |
| Mass | 539.6248 |
| Exact Mass | 539.2532546 |
| Composition | C (69%), H (6.16%), N (12.98%), O (11.86%) |
| Atom Count | 73 |
| PI | 9.22 |
| Smiles | C1(=C(c2ccccc2)/Nc2ccc(cc2)N(C(=O)CN2CCN(CC2)C)C)/c2c(cc(cc2)C(=O)OC)NC1=O |
| InChI | 1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25
-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- |
| InChIKey | XZXHXSATPCNXJR-ZIADKAODSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18559524 | 19522465 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK2 | CDK2/CYCLINA | CDK4 | CHK1 | CK1 | CK2 | CSK | DYRK1A | FGFR1 | FGFR-2 | FGFR3 | FGFR-4 | FLT3 | GSK-3B | HGFR | IGF1R | InsR | JNK1A1 | Lck | Lyn | MAPK2ERK2 | MAPKAPK2 | MSK1 | PDGFRa | PDGFRh | PDK1 | PHK | PKA | PKBA | PKCA | PP2A | PRAK | ROCKII | S6K1 | SAPK2AP38 | SAPK2BP38B2 | SAPK3P38G | SAPK4p38 delta | SGK | Src | VEGFR1 | VEGFR2 | VEGFR2/mouse | VEGFR3 | ALL |
| Pub Chem Link |
9809715
|
| Drug Bank Link | - |
| ChemSpider Link | 7985471 28660442 |
| ChEMBL Link | CHEMBL502835 |
