General Property |
Molceule ID (DB) | EGIN0003662 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5g compound |
IUPAC Name | (2S)-3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}(methyl)amino)propane-1,2-diol |
Formula | C17H18BrN5O2 |
Mass | 404.261 |
Exact Mass | 403.0643875 |
Composition | C (50.51%), H (4.49%), Br (19.77%), N (17.32%), O (7.92%) |
Atom Count | 43 |
PI | 9.48 |
Smiles | c12c(ncnc2cnc(c1)N(C[C@H](O)CO)C)Nc1cc(Br)ccc1 |
InChI | 1S/C17H18BrN5O2/c1-23(8-13(25)9-24)16-6-14-15(7-19-16)20-10-21-17(14)22-12-4-2-3-11(18)5-12/h2-7,10,
13,24-25H,8-9H2,1H3,(H,20,21,22)/t13-/m0/s1 |
InChIKey | QSUNZQDMCQHQDO-ZDUSSCGKSA-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 | 9513602 |
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 | 4485518 21201183 21201047 |
ChEMBL Link | CHEMBL165547 |