General Property |
Molceule ID (DB) | EGIN0001911 |
Inhibitor Class | Naphthyridine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | 4-(cyclohexylamino)-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile |
Formula | C21H22N6 |
Mass | 358.4396 |
Exact Mass | 358.1905947 |
Composition | C (70.37%), H (6.19%), N (23.45%) |
Atom Count | 49 |
PI | 12.32 |
Smiles | c1ncc(cc1)CNc1ncc2c(c1)c(c(cn2)C#N)NC1CCCCC1 |
InChI | 1S/C21H22N6/c22-10-16-13-24-19-14-26-20(25-12-15-5-4-8-23-11-15)9-18(19)21(16)27-17-6-2-1-3-7-17/h4-
5,8-9,11,13-14,17H,1-3,6-7,12H2,(H,24,27)(H,25,26) |
InChIKey | YZGIQVIHULYDNX-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 | Tpl2 | |
Pub Chem Link |
44435406
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Drug Bank Link | - |
ChemSpider Link | 23298408 |
ChEMBL Link | CHEMBL393707 |