General Property |
Molceule ID (DB) | EGIN0004356 |
Inhibitor Class | Naphthyridine |
Molecule Name in Refrence Article | 2a compound |
IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile |
Formula | C19H13ClFN7 |
Mass | 393.805 |
Exact Mass | 393.0904994 |
Composition | C (57.95%), H (3.33%), Cl (9%), F (4.82%), N (24.9%) |
Atom Count | 41 |
PI | 9.58 |
Smiles | c12cc(ncc1ncc(c2Nc1cc(c(cc1)F)Cl)C#N)NCc1c[nH]cn1 |
InChI | 1S/C19H13ClFN7/c20-15-3-12(1-2-16(15)21)28-19-11(5-22)6-24-17-9-26-18(4-14(17)19)25-8-13-7-23-10-27-
13/h1-4,6-7,9-10H,8H2,(H,23,27)(H,24,28)(H,25,26) |
InChIKey | XNLZFFPOXPLVPL-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 | 17664070 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | S6 | p38 | MEK | p38 | PKA | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL220037 |