General Property |
Molceule ID (DB) | EGIN0003174 |
Inhibitor Class | Thieno-pyridine |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl}thieno[3,2-b]pyridine-6-carbonitrile |
Formula | C26H24Cl2N6OS |
Mass | 539.479 |
Exact Mass | 538.1109355 |
Composition | C (57.89%), H (4.48%), Cl (13.14%), N (15.58%), O (2.97%), S (5.94%) |
Atom Count | 60 |
PI | 10.97 |
Smiles | c12sc(cc2ncc(c1Nc1cc(c(cc1Cl)Cl)OC)C#N)c1ncc(CN2CCN(CC2)C)cc1 |
InChI | 1S/C26H24Cl2N6OS/c1-33-5-7-34(8-6-33)15-16-3-4-20(30-13-16)24-11-22-26(36-24)25(17(12-29)14-31-22)32
-21-10-23(35-2)19(28)9-18(21)27/h3-4,9-11,13-14H,5-8,15H2,1-2H3,(H,31,32) |
InChIKey | IBRPSHUYWHRYQA-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 | 16125383 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | AKT | CDK4 | IKK | PDK1 | Raf/MEK | Abl | Src | ALL |
Pub Chem Link |
5330420
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Drug Bank Link | - |
ChemSpider Link | 4487571 |
ChEMBL Link | CHEMBL373101 |