| General Property |
| Molceule ID (DB) | EGIN0004212 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3k compound |
| IUPAC Name | (2S,3R,4S,5S)-6-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)hexane-1,2,3,4,5-pentol |
| Formula | C20H24BrN5O5 |
| Mass | 494.339 |
| Exact Mass | 493.0960816 |
| Composition | C (48.59%), H (4.89%), Br (16.16%), N (14.17%), O (16.18%) |
| Atom Count | 55 |
| PI | 8.83 |
| Smiles | n1cnc(c2c1cc(nc2)N(C[C@H](O)[C@@H]([C@H](O)[C@@H](O)CO)O)C)Nc1cc(ccc1)Br |
| InChI | 1S/C20H24BrN5O5/c1-26(8-15(28)18(30)19(31)16(29)9-27)17-6-14-13(7-22-17)20(24-10-23-14)25-12-4-2-3-1
1(21)5-12/h2-7,10,15-16,18-19,27-31H,8-9H2,1H3,(H,23,24,25)/t15-,16-,18-,19+/m0/s1 |
| InChIKey | OUDUEUZRZJNOKY-PBWTXFEYSA-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 | 9397172 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485470 8824232 21201189 21201188 |
| ChEMBL Link | CHEMBL127611 |
