General Property |
Molceule ID (DB) | EGIN0000917 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 28 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(morpholin-4-yl)propyl]but-2-enediamide |
Formula | C24H26BrN7O3 |
Mass | 540.412 |
Exact Mass | 539.1280504 |
Composition | C (53.34%), H (4.85%), Br (14.79%), N (18.14%), O (8.88%) |
Atom Count | 61 |
PI | 9.57 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN1CCOCC1 |
InChI | 1S/C24H26BrN7O3/c25-17-3-1-4-18(13-17)30-24-19-14-21(27-15-20(19)28-16-29-24)31-23(34)6-5-22(33)26-7
-2-8-32-9-11-35-12-10-32/h1,3-6,13-16H,2,7-12H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+ |
InChIKey | JPHMUYSWHKPNKF-AATRIKPKSA-N |
2D Structure | ![](./image/EGIN0000917.png) | Structure Backbone | ![](./frame/f_EGIN0000917.png) |
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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 | 11462982 |
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 |
5329089
|
Drug Bank Link | - |
ChemSpider Link | 4486251 |
ChEMBL Link | CHEMBL136058 |