| General Property |
| Molceule ID (DB) | EGIN0002478 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 8l |
| IUPAC Name | 4-(7-{2,6-difluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl}-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1H-indazole |
| Formula | C30H24F2N8 |
| Mass | 534.562 |
| Exact Mass | 534.2091992 |
| Composition | C (67.4%), H (4.53%), F (7.11%), N (20.96%) |
| Atom Count | 64 |
| PI | 10.57 |
| Smiles | c1cnc2c(c(nn2c1c1c(cc(cc1F)N1C[C@H]2N(C[C@@H]1C2)C)F)c1ccncc1)c1cccc2[nH]ncc12 |
| InChI | 1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-
22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,2
0-/m0/s1 |
| InChIKey | JCJSAFZMXVQVBR-PMACEKPBSA-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 | 20961062 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl1 | B-Raf | C-Raf | EPHA1 | LCK | MAPK14 | RET | TEK | YES1 | JAK2 | MAPKAPK2 | PDK1 | ROCK1 | CDK2/cyclin A | MAP3K | AKT1 | IGF1R | IKBKB | MAPK3 | PDGFRA | PIM1 | RPS6KB1 | MAPK1 | NEK2 | AURKA | CHEK2 | SGK | AKT2 | KIT | PDGFRB | PRKCA | PRKCD | PLK1 | FLT1 | RPS6K | PRKCG | PTK2 | FLT4 | PRKA | CSK | FES | FLT3 | NTRK1 | GSK3A | GSK3B | ERBB2 | KDR | PRKCB1 | BTK | PRKCB1 | FGFR1 | FGFR2 | MET | YES1 | ABL1 | LCK | EGFR | SRC | MAPK14 | TEK | EPHA1 | RET | C-Raf | B-Raf | ALL |
| Pub Chem Link |
44187005
|
| Drug Bank Link | - |
| ChemSpider Link | 26348583 |
| ChEMBL Link | CHEMBL1276179 |
