| General Property |
| Molceule ID (DB) | EGIN0004152 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | 16 (CEP-6331) |
| IUPAC Name | 3-(2-hydroxyethyl)-20-(propan-2-yloxy)-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 | C27H26N2O3 |
| Mass | 426.5069 |
| Exact Mass | 426.1943427 |
| Composition | C (76.03%), H (6.14%), N (6.57%), O (11.25%) |
| Atom Count | 58 |
| PI | 6.69 |
| Smiles | c1ccc2c(c1)c1c(n2CCO)c2c(c3c(CC2)cc(cc3)OC(C)C)c2c1CNC2=O |
| InChI | 1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)2
9(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31) |
| InChIKey | HSWWFIPPMAFLPH-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 7999534 |
| ChEMBL Link | CHEMBL460990 |
