| General Property |
| Molceule ID (DB) | EGIN0001752 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | [(2R)-1-{6-[(3-chlorophenyl)amino]-9-ethyl-9H-purin-2-yl}pyrrolidin-2-yl]methanol |
| Formula | C18H21ClN6O |
| Mass | 372.852 |
| Exact Mass | 372.146537 |
| Composition | C (57.98%), H (5.68%), Cl (9.51%), N (22.54%), O (4.29%) |
| Atom Count | 47 |
| PI | 10 |
| Smiles | c1(nc2c(c(n1)Nc1cc(Cl)ccc1)ncn2CC)N1[C@@H](CO)CCC1 |
| InChI | 1S/C18H21ClN6O/c1-2-24-11-20-15-16(21-13-6-3-5-12(19)9-13)22-18(23-17(15)24)25-8-4-7-14(25)10-26/h3,
5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,21,22,23)/t14-/m1/s1 |
| InChIKey | INOQUZXUCBEROH-CQSZACIVSA-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 | 9990463 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | PKC alpha | CDK1 | ALL |
| Pub Chem Link |
44385264
|
| Drug Bank Link | - |
| ChemSpider Link | 23240895 |
| ChEMBL Link | CHEMBL366734 |
