| General Property |
| Molceule ID (DB) | EGIN0004199 |
| Inhibitor Class | Pyrazole |
| Molecule Name in Refrence Article | 10a compound |
| IUPAC Name | 4-(4-{3-[(4-{[(propan-2-yl)amino]methyl}phenyl)amino]-1H-pyrazol-5-yl}phenyl)benzene-1,3-diol |
| Formula | C25H26N4O2 |
| Mass | 414.4995 |
| Exact Mass | 414.2055761 |
| Composition | C (72.44%), H (6.32%), N (13.52%), O (7.72%) |
| Atom Count | 57 |
| PI | 9.28 |
| Smiles | c1(ccc(cc1O)O)c1ccc(cc1)c1[nH]nc(c1)Nc1ccc(cc1)CNC(C)C |
| InChI | 1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)1
3-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29) |
| InChIKey | MYHOUKHXSVKHBA-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 | 17887663 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | EGFR | INSR | S6K | Aurora A | VEGFR | NEK2 | ABL | IKK beta | ROCK1 | PAK4 | MAPK1 | PKC beta | PIM2 | MASK | PKC zeta | CAMK1 | CLK | LCK | IKKi | AKT1 | CHK2 | SGK | CK2 | CHK1 | GSK-3 beta | CDK2 | CDK1 | PDK1 | CK1 delta | MAPKAP2 | AKT1 | SRC | PKA | ECK | ERK2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23300562 |
| ChEMBL Link | CHEMBL398606 |
