| General Property |
| Molceule ID (DB) | EGIN0004537 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 34e |
| IUPAC Name | N-{3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propyl}-3-hydroxy-3-methylbutanamide |
| Formula | C27H27ClF3N5O3 |
| Mass | 561.983 |
| Exact Mass | 561.1754521 |
| Composition | C (57.7%), H (4.84%), Cl (6.31%), F (10.14%), N (12.46%), O (8.54%) |
| Atom Count | 66 |
| PI | 10.22 |
| Smiles | c1(c2n(ccc2ncn1)CCCNC(=O)CC(O)(C)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C27H27ClF3N5O3/c1-26(2,38)15-23(37)32-10-4-11-36-12-9-21-24(36)25(34-16-33-21)35-18-7-8-22(20(28)
14-18)39-19-6-3-5-17(13-19)27(29,30)31/h3,5-9,12-14,16,38H,4,10-11,15H2,1-2H3,(H,32,37)(H,33,34,35) |
| InChIKey | HILHCGNXMKKRMI-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 22003817 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MEK1 | MEK5 | c-Met | Aurora B | VEGFR 1 | VEGFR 2 | FGFR1 | FGFR 3 | PDGFR a | PDGFR ß | IRK | TIE2 | c-kit | IGF-1R | Src | Lck | CSK | FAK | Lyn A | Lyn B | ASK 1 | TAK 1 | MEKK 1 | IKK bata | JNK 1 | ERK 1 | P38 alpha | PKA | PKC thete | GSK3 beta | B-raf | TTK | PLK 1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
