General Property |
Molceule ID (DB) | EGIN0004494 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 4a |
IUPAC Name | 4-amino-7-[(2-hydroxyethyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile |
Formula | C10H10N6O |
Mass | 230.226 |
Exact Mass | 230.091609 |
Composition | C (52.17%), H (4.38%), N (36.5%), O (6.95%) |
Atom Count | 27 |
PI | 9.92 |
Smiles | c1(ncnc2c1cc(c(n2)NCCO)C#N)N |
InChI | 1S/C10H10N6O/c11-4-6-3-7-8(12)14-5-15-10(7)16-9(6)13-1-2-17/h3,5,17H,1-2H2,(H3,12,13,14,15,16) |
InChIKey | WSKJBEAUZWPRKV-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 | 22000924 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDK4/D | CDK2/A | ALL |
Pub Chem Link |
56935337
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Drug Bank Link | - |
ChemSpider Link | 28484576 |
ChEMBL Link | CHEMBL1910268 |