| General Property |
| Molceule ID (DB) | EGIN0005050 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | Icotinib |
| IUPAC Name | Nâ€(3â€ethynylphenyl)â€7H,8H,10H,11H,13H,14Hâ€1,4,7,10â€tetraoxacyclododeca[2,3â€g]quinazolinâ€4â€amine |
| Formula | C22H21N3O4 |
| Mass | 391.4198 |
| Exact Mass | 391.153206175 |
| Composition | C (67.51%), H (5.41%), N (10.74%), O (16.35%) |
| Atom Count | 50 |
| PI | 10.36 |
| Smiles | C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4 |
| InChI | 1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-2
8-20/h1,3-5,12-15H,6-11H2,(H,23,24,25) |
| InChIKey | QQLKULDARVNMAL-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 | 22112293 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl | Abl(T315I) | ALK | ARK5 | Aurora-A | Axl | Blk[m] | Bmx | BRK | CDK1/cyclinB | CDK2/cyclinA | CDK5/p35 | CHK1 | CHK2 | CK1γ1 | CK1γ2 | CK1γ3 | cKit | cKit(D816H) | cKit(V560G) | CSK | c-RAF | cSRC | DAPK1 | DDR2 | DYRK2 | EphA2 | EphA7 | EphB4 | ErbB4 | FAK | Fer | Fes | FGFR1 | FGFR2 | FGFR3 | FGFR4 | Flt1 | Flt3(D835Y) | Flt3 | Flt4 | Fms | Hck | HIPK2 | HIPK3 | IGF-1R | IKKα | KDR | PI 3-Kinaseß | PI 3-Kinaseγ | PI 3-Kinase | LKB1 | MAPK2 | MEK1 | MELK | Mer | Met | MST3 | p70S6K | PAK4 | PDGFRα | PDGFRα(D842V) | PDK1 | Pim-1 | PKBα | PKCα | PKCє | PKCƞ | PKCƖ | PKCµ | PKCθ | PKD2 | Ret | ROCK-I | Ron | Ros | Snk | TAK1 | Tie2 | TrkA | Yes | ZAP-70 | ZIPK | ALL |
| Pub Chem Link |
22024915
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
