General Property |
Molceule ID (DB) | EGIN0002079 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP34 |
IUPAC Name | 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-methylthiophene-2-carbaldehyde |
Formula | C14H15N5OS |
Mass | 301.367 |
Exact Mass | 301.0997308 |
Composition | C (55.8%), H (5.02%), N (23.24%), O (5.31%), S (10.64%) |
Atom Count | 36 |
PI | 13.06 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(s1)C=O)C |
InChI | 1S/C14H15N5OS/c1-7(2)19-14-11(13(15)16-6-17-14)12(18-19)9-4-8(3)10(5-20)21-9/h4-7H,1-3H3,(H2,15,16,1
7) |
InChIKey | JFJRIADKVAOEDG-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 | 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 |
24905157
|
Drug Bank Link | - |
ChemSpider Link | 24605304 |
ChEMBL Link | CHEMBL1241947 |