General Property |
Molceule ID (DB) | EGIN0001367 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 8b compound |
IUPAC Name | N-{5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-(pyridin-2-ylmethyl)-1H-indazol-5-amine |
Formula | C25H27N9 |
Mass | 453.5422 |
Exact Mass | 453.2389419 |
Composition | C (66.2%), H (6%), N (27.79%) |
Atom Count | 61 |
PI | 12.44 |
Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccn1)c(cc2)CN1CC[C@@H](CC1)N |
InChI | 1S/C25H27N9/c26-20-7-10-32(11-8-20)15-18-6-12-33-24(18)25(28-17-30-33)31-21-4-5-23-19(13-21)14-29-34
(23)16-22-3-1-2-9-27-22/h1-6,9,12-14,17,20H,7-8,10-11,15-16,26H2,(H,28,30,31) |
InChIKey | NLIUCSKZGNJKGU-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 |
44441014
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Drug Bank Link | - |
ChemSpider Link | 23305269 |
ChEMBL Link | CHEMBL247914 |