| General Property |
| Molceule ID (DB) | EGIN0003146 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 31a compound |
| IUPAC Name | 5-(2-aminoethyl)-7-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine |
| Formula | C23H19N7S |
| Mass | 425.509 |
| Exact Mass | 425.1422643 |
| Composition | C (64.92%), H (4.5%), N (23.04%), S (7.54%) |
| Atom Count | 50 |
| PI | 11.17 |
| Smiles | c1nc(nc2c1n(cc2c1cc(c2sc3ccccc3c2)c2c(c1)cn[nH]2)CCN)N |
| InChI | 1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-
2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28) |
| InChIKey | JPOSFPUHBHRUAX-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 | 19926477 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ABL | CAMK4 | CK2 | c-Kit | c-Met | COT | EPHA2 | ERBB2 | ERBB4 | ERK2 | FGFR1 | FGFR3 | FYN | IGFR1R | INSR | IRAK4 | ITK | JAK2 | KDR | LYN | NEK2 | P70S6K | PIM2 | PLK1 | PLK3 | SYK | TRKA | TRKB | AKT1 | TYK2 | EMK | AKT3 | Aurora A | PKC gamma | GSK-3b | CDK2 | PIM1 | GSK-3 alpha | MK2 | CTAK-1 | CDK5/p25 | PAK4KD | CHK1 | CDC2 | IKK1 | CDC4 | PLK4 | MK3 | ROCK1 | p38g | RSK2 | AMPK | JNK2 | AKT2 | Aurora B | ZIPK | CHK2 | DYRK1A | ROCK2 | LCK | LIMK1 | PAK1 | JNK1A1 | PDK1 | CK1 delta | JAK3 | MST2 | FLT4 | FLT3 | SRC | PKA | SGK | p38 delta | BLK | FLT1 | CSF1R | EGFR | PKD2 | PKC zeta | ALL |
| Pub Chem Link |
46224684
|
| Drug Bank Link | - |
| ChemSpider Link | 24643762 |
| ChEMBL Link | CHEMBL590109 |
