General Property |
Molceule ID (DB) | EGIN0004222 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 3u compound |
IUPAC Name | 4-N-(3-bromophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
Formula | C21H26BrN7 |
Mass | 456.382 |
Exact Mass | 455.1433065 |
Composition | C (55.27%), H (5.74%), Br (17.51%), N (21.48%) |
Atom Count | 55 |
PI | 11.79 |
Smiles | n1cnc(c2c1cc(nc2)NCCCN1CCN(CC1)C)Nc1cc(ccc1)Br |
InChI | 1S/C21H26BrN7/c1-28-8-10-29(11-9-28)7-3-6-23-20-13-19-18(14-24-20)21(26-15-25-19)27-17-5-2-4-16(22)1
2-17/h2,4-5,12-15H,3,6-11H2,1H3,(H,23,24)(H,25,26,27) |
InChIKey | AEPFNBDPODWKEH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004222.png) | Structure Backbone | ![](./frame/f_EGIN0004222.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 | 4485480 |
ChEMBL Link | CHEMBL340484 |