General Property |
Molceule ID (DB) | EGIN0001370 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 8e compound |
IUPAC Name | N-{5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-[(5-methylpyridin-3-yl)methyl]-1H-indazol-5-amine |
Formula | C26H29N9 |
Mass | 467.5688 |
Exact Mass | 467.254592 |
Composition | C (66.79%), H (6.25%), N (26.96%) |
Atom Count | 64 |
PI | 12.44 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cc(cnc1)C)c(cc2)CN1CC[C@@H](CC1)N |
InChI | 1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29
-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32) |
InChIKey | WUPUQIUJIDRWAX-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 | 17606372 |
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 |
44441017
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Drug Bank Link | - |
ChemSpider Link | 23305272 |
ChEMBL Link | CHEMBL248114 |