General Property |
Molceule ID (DB) | EGIN0004231 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3dd compound |
IUPAC Name | 2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)acetic acid |
Formula | C16H14BrN5O2 |
Mass | 388.219 |
Exact Mass | 387.0330874 |
Composition | C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%) |
Atom Count | 38 |
PI | 4.57 |
Smiles | n1cnc(c2c1cc(nc2)N(CC(=O)O)C)Nc1cc(ccc1)Br |
InChI | 1S/C16H14BrN5O2/c1-22(8-15(23)24)14-6-13-12(7-18-14)16(20-9-19-13)21-11-4-2-3-10(17)5-11/h2-7,9H,8H2
,1H3,(H,23,24)(H,19,20,21) |
InChIKey | GYZRHMIPWQOSOA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004231.png) | Structure Backbone | ![](./frame/f_EGIN0004231.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 | 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 | 4485489 |
ChEMBL Link | CHEMBL126903 |