General Property |
Molceule ID (DB) | EGIN0000302 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 28 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-ynamide |
Formula | C16H10BrN5O |
Mass | 368.188 |
Exact Mass | 367.0068726 |
Composition | C (52.19%), H (2.74%), Br (21.7%), N (19.02%), O (4.35%) |
Atom Count | 33 |
PI | 7.99 |
Smiles | c12c(cnc(c1)NC(=O)C#C)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C16H10BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h1,3-9H,(H,18,2
2,23)(H,19,20,21) |
InChIKey | OMYOVWAUIIJSPG-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 | 16480284 |
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 | 13231105 |
ChEMBL Link | CHEMBL378144 |