General Property |
Molceule ID (DB) | EGIN0003833 |
Inhibitor Class | Pyrimido-indole |
Molecule Name in Refrence Article | 38 compound |
IUPAC Name | N-[(1S)-1-phenylethyl]-3H-pyrimido[5,4-b]indol-4-amine |
Formula | C18H16N4 |
Mass | 288.3464 |
Exact Mass | 288.1374965 |
Composition | C (74.98%), H (5.59%), N (19.43%) |
Atom Count | 38 |
PI | 5.68 |
Smiles | c12nc3c(c1nc[nH]c2N[C@H](c1ccccc1)C)cccc3 |
InChI | 1S/C18H16N4/c1-12(13-7-3-2-4-8-13)21-18-17-16(19-11-20-18)14-9-5-6-10-15(14)22-17/h2-12,21H,1H3,(H,1
9,20)/t12-/m0/s1 |
InChIKey | ALVAPOXOHZKAAJ-LBPRGKRZSA-N |
2D Structure | ![](./image/EGIN0003833.png) | Structure Backbone | ![](./frame/f_EGIN0003833.png) |
|
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 | 10639288 | 11520212 | |
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 |
18184378
|
Drug Bank Link | - |
ChemSpider Link | 23189053 |
ChEMBL Link | CHEMBL103864 |