General Property |
Molceule ID (DB) | EGIN0002184 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP43 |
IUPAC Name | 6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indole-3-carbaldehyde |
Formula | C17H16N6O |
Mass | 320.3485 |
Exact Mass | 320.1385592 |
Composition | C (63.74%), H (5.03%), N (26.23%), O (4.99%) |
Atom Count | 40 |
PI | 9.91 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)c(c[nH]2)C=O |
InChI | 1S/C17H16N6O/c1-9(2)23-17-14(16(18)20-8-21-17)15(22-23)10-3-4-12-11(7-24)6-19-13(12)5-10/h3-9,19H,1-
2H3,(H2,18,20,21) |
InChIKey | QRJVSLZNMWIKRS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002184.png) | Structure Backbone | ![](./frame/f_EGIN0002184.png) |
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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 |
52945348
|
Drug Bank Link | - |
ChemSpider Link | 26353247 |
ChEMBL Link | CHEMBL1242666 |