General Property |
Molceule ID (DB) | EGIN0002121 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP14 |
IUPAC Name | 4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]benzene-1-sulfonamide |
Formula | C14H16N6O2S |
Mass | 332.381 |
Exact Mass | 332.1055445 |
Composition | C (50.59%), H (4.85%), N (25.28%), O (9.63%), S (9.65%) |
Atom Count | 39 |
PI | 8.29 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1ccc(cc1)S(=O)(=O)N |
InChI | 1S/C14H16N6O2S/c1-8(2)20-14-11(13(15)17-7-18-14)12(19-20)9-3-5-10(6-4-9)23(16,21)22/h3-8H,1-2H3,(H2,
15,17,18)(H2,16,21,22) |
InChIKey | ZNAZTNSMMJFJLP-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 | 18849971 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
24905338
|
Drug Bank Link | - |
ChemSpider Link | 24605121 |
ChEMBL Link | CHEMBL1242032 |