Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003462
Inhibitor ClassDiazepine
Molecule Name in Refrence Article3v compound
IUPAC NameN-[9-(2-chlorophenyl)-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-12-yl]acetamide
FormulaC18H14ClN5O
Mass351.79
Exact Mass351.0886878
Composition C (61.46%), H (4.01%), Cl (10.08%), N (19.91%), O (4.55%)
Atom Count39
PI7.47
Smiles[nH]1c2c(c(nc3c1n[nH]c3)c1ccccc1Cl)cc(cc2)NC(=O)C
InChI1S/C18H14ClN5O/c1-10(25)21-11-6-7-15-13(8-11)17(12-4-2-3-5-14(12)19)22-16-9-20-24-18(16)23-15/h2-9H,
1H3,(H,21,25)(H2,20,23,24)
InChIKeySVZUZSDHGKVQNU-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20832307
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFAK | CDK4 | PDGFr | KDR | CDK1 | CDK2 | FGFr | Src | ALL
Pub Chem Link 52943201
Drug Bank Link -
ChemSpider Link 26365786
ChEMBL Link CHEMBL1257912
 
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