| General Property |
| Molceule ID (DB) | EGIN0004151 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | 14 (CEP-5104) |
| IUPAC Name | 3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-14-one |
| Formula | C25H22N2O3 |
| Mass | 398.4538 |
| Exact Mass | 398.1630426 |
| Composition | C (75.36%), H (5.57%), N (7.03%), O (12.05%) |
| Atom Count | 52 |
| PI | 6.69 |
| Smiles | c1ccc2c(c1)c1c(n2CCO)c2c(c3c(CC2)cc(cc3)OC)c2c1CNC2=O |
| InChI | 1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-1
1-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29) |
| InChIKey | QMLALHXGVBGFIC-UHFFFAOYSA-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 | 18714982 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDKs | CHK1/2 | DLK | EGFR | FGFR1 | Fyn | IRK | JNK | Lck | MKK4/7 | MLK1 | MLK2 | MLK3 | P38R | PDGFR | PKC | TrkA | VEGFR1 | VEGFR2 | VEGFR3 | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 19077628 |
| ChEMBL Link | CHEMBL460989 |
