| General Property |
| Molceule ID (DB) | EGIN0000002 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | ERLOTINIB |
| IUPAC Name | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine |
| Formula | C22H23N3O4 |
| Mass | 393.4357 |
| Exact Mass | 393.1688562 |
| Composition | C (67.16%), H (5.89%), N (10.68%), O (16.27%) |
| Atom Count | 52 |
| PI | 10.36 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)C#C)OCCOC)OCCOC |
| InChI | 1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-2
2/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) |
| InChIKey | AAKJLRGGTJKAMG-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 | 11585755 | 12270171 | 15374980 | 16211656 | 16475937 | 17575237 | 17689836 | 17869510 | 18316192 | 18702009 | 19815412 | 19888761 | 19914835 | 19914837 | 19969465 | 20005116 | 20143778 | 20166671 | 20222733 | 20346655 | 20403700 | 20594859 | 20627597 | 20817523 | 15711537 | 21732342 | 21763148 | 22101132 | 22112541 | 22169601 | 22277588 | 22361272 | 22888144 | 22901387 | 9354447 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | cSrc | cSrc | A431 | SK-BR-3 | pIGF-1R | VEGFR-2 | PDGFR-ß | pIGF1R | pEGFR | pErbB2 | VEGFR2 | ALL |
| Pub Chem Link |
176870
|
| Drug Bank Link | DB00530 |
| ChemSpider Link | 154044 |
| ChEMBL Link | CHEMBL553 |
