| General Property |
| Molceule ID (DB) | EGIN0003464 |
| Inhibitor Class | Thieno-pyrazole |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | 3-{[4-(morpholin-4-yl)phenyl]amido}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide |
| Formula | C29H32N6O3S |
| Mass | 544.668 |
| Exact Mass | 544.2256596 |
| Composition | C (63.95%), H (5.92%), N (15.43%), O (8.81%), S (5.89%) |
| Atom Count | 71 |
| PI | 8.19 |
| Smiles | [nH]1nc(c2c1cc(s2)C(=O)N[C@@H](c1ccccc1)CN1CCCC1)NC(=O)c1ccc(cc1)N1CCOCC1 |
| InChI | 1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37
)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/
t24-/m1/s1 |
| InChIKey | ORWIYCURPDKSBI-XMMPIXPASA-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 | 20817473 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ABL | AKT1 | BRK | CDK2/CYCA | CK2 | ERK2 | GSK-3 beta | IGFR1 | IKK2 | IKKi | LCK | LYN | MAPKAPK2 | MET | NIM1 | P38 alpha | PLK1 | SULU1 | ZAP70 | RET | PKC beta | FGFR1 | VEGFR2 | CHK1 | JAK2 | AurA | TRKA | VEGFR3 | CDC7/DBF4 | PKA alpha | PDGFR | KIT | JAK3 | MST4 | AurB | PAK4 | AurC | IR | PDK1 | ALL |
| Pub Chem Link |
11847343
|
| Drug Bank Link | - |
| ChemSpider Link | 10021817 |
| ChEMBL Link | CHEMBL1258913 |
