| General Property |
| Molceule ID (DB) | EGIN0003398 |
| Inhibitor Class | Pyrazine-Pyridine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyridin-3-yl)amino]propan-1-ol |
| Formula | C18H18ClN5O |
| Mass | 355.821 |
| Exact Mass | 355.1199879 |
| Composition | C (60.76%), H (5.1%), Cl (9.96%), N (19.68%), O (4.5%) |
| Atom Count | 43 |
| PI | 9.66 |
| Smiles | n1c(Nc2cc(Cl)ccc2)cncc1c1cc(NCCCO)cnc1 |
| InChI | 1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-
12,22,25H,2,5-6H2,(H,23,24) |
| InChIKey | UCHQCSDTPQKAKL-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 | 15771433 | 16033269 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | calmodulin kinase-2 | Casein kinase 1 | Casein kinase 2 | CDK1 | CDK4 | MAPK/ERK2 | PKA | PKC beta2 | PKC gamma | Insulin R kinase | FGFR-2 | PDGFR | GSK-3 | VEGFR2 | ALL |
| Pub Chem Link |
5330387
|
| Drug Bank Link | - |
| ChemSpider Link | 4487538 |
| ChEMBL Link | CHEMBL177688 |
