| General Property |
| Molceule ID (DB) | EGIN0001007 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 41 compound |
| IUPAC Name | 3-({5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-yl}amino)benzoic acid |
| Formula | C17H16N4O2 |
| Mass | 308.3345 |
| Exact Mass | 308.1273258 |
| Composition | C (66.22%), H (5.23%), N (18.17%), O (10.38%) |
| Atom Count | 39 |
| PI | 5.41 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C(=O)O)c1c([nH]2)CCCC1 |
| InChI | 1S/C17H16N4O2/c22-17(23)10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2
,6-7H2,(H,22,23)(H2,18,19,20,21) |
| InChIKey | GIZBQMSKVMDJML-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 | 8691423 |
| 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 |
10638517
|
| Drug Bank Link | - |
| ChemSpider Link | 8813879 |
| ChEMBL Link | CHEMBL74645 |
