General Property |
Molceule ID (DB) | EGIN0003147 |
Inhibitor Class | Imidazo-pyrazine |
Molecule Name in Refrence Article | 2 compound |
IUPAC Name | 1-(3-{8-[(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl}phenyl)-3-[3-(trifluoromethyl)phenyl]urea |
Formula | C26H20F3N7O |
Mass | 503.4785 |
Exact Mass | 503.1681429 |
Composition | C (62.02%), H (4%), F (11.32%), N (19.47%), O (3.18%) |
Atom Count | 57 |
PI | 8.82 |
Smiles | c1(cccc(c1)NC(=O)Nc1cccc(c1)c1cn2c(c(n1)NCc1ccncc1)ncc2)C(F)(F)F |
InChI | 1S/C26H20F3N7O/c27-26(28,29)19-4-2-6-21(14-19)34-25(37)33-20-5-1-3-18(13-20)22-16-36-12-11-31-24(36)
23(35-22)32-15-17-7-9-30-10-8-17/h1-14,16H,15H2,(H,32,35)(H2,33,34,37) |
InChIKey | NWEIPABWNQPRCZ-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 | 19879134 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Abl1 | Flt3 | VEGFR2 | EphA2 | Akt | Blk | CDK5 | EGFR | FGFR4 | Fyn | GSK-3b | IGFR | IRK | LCK | PKA | PKC alpha | PKC beta 2 | PKC theta | SRC | Syk | Zap70 | Lyn | EphB4 | Tie2 | VEGFR3 | VEGFR1 | PDGFR beta | Btk | ALL |
Pub Chem Link |
11755812
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Drug Bank Link | - |
ChemSpider Link | 9930515 |
ChEMBL Link | CHEMBL1081198 |