General Property |
Molceule ID (DB) | EGIN0003660 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5e compound |
IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}(methyl)amino)ethan-1-ol |
Formula | C16H16BrN5O |
Mass | 374.235 |
Exact Mass | 373.0538228 |
Composition | C (51.35%), H (4.31%), Br (21.35%), N (18.71%), O (4.28%) |
Atom Count | 39 |
PI | 9.97 |
Smiles | c12c(ncnc2cnc(c1)N(CCO)C)Nc1cc(Br)ccc1 |
InChI | 1S/C16H16BrN5O/c1-22(5-6-23)15-8-13-14(9-18-15)19-10-20-16(13)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5
-6H2,1H3,(H,19,20,21) |
InChIKey | FJHAVJDRZOHMAT-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 | 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 | 4485516 |
ChEMBL Link | CHEMBL161956 |