| General Property |
| Molceule ID (DB) | EGIN0004481 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 51m |
| IUPAC Name | 2-amino-N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methylpropanamide |
| Formula | C25H24ClN7O2S |
| Mass | 522.022 |
| Exact Mass | 521.1400714 |
| Composition | C (57.52%), H (4.63%), Cl (6.79%), N (18.78%), O (6.13%), S (6.14%) |
| Atom Count | 60 |
| PI | 11.64 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)N)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)3
5-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32) |
| InChIKey | AVHNHPHSQMBYAJ-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 | 22439974 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | LCK | c-met | MEK1 | LYNB | TIE2 | CSK | LYNA | Src | c-kit | AuroraB | FGFR1 | FGFR3 | ASK1 | FAK | MEK5 | MEKK | VEGFR1 | VEGFR2 | PDGFRa | PDGFRb | TTK | TAK1 | PLK | PKCtheta | PKA | BMX | IGF1-R | InsR | ZAP70 | B-rafw | ERK1 | GSK3b | IKK | JNK | P38a | ALL |
| Pub Chem Link |
44229839
|
| Drug Bank Link | - |
| ChemSpider Link | 28506885 |
| ChEMBL Link | - |
