General Property |
Molceule ID (DB) | EGIN0001810 |
Inhibitor Class | Thieno-pyridine |
Molecule Name in Refrence Article | 37 compound |
IUPAC Name | N-(2-{[(4-{7-[(1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]amino}ethyl)acetamide |
Formula | C26H25N5OS |
Mass | 455.575 |
Exact Mass | 455.1779811 |
Composition | C (68.55%), H (5.53%), N (15.37%), O (3.51%), S (7.04%) |
Atom Count | 58 |
PI | 12.39 |
Smiles | s1c(cc2c1c(Nc1cc3c([nH]cc3)cc1)ccn2)c1ccc(cc1)CNCCNC(=O)C |
InChI | 1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-
20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31) |
InChIKey | UGWUUDYHNSCFBW-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
18382993
|
Drug Bank Link | - |
ChemSpider Link | 13367601 |
ChEMBL Link | CHEMBL418909 |