Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003461
Inhibitor ClassDiazepine
Molecule Name in Refrence Article3u compound
IUPAC Name9-(2-chlorophenyl)-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-12-amine
FormulaC16H12ClN5
Mass309.753
Exact Mass309.0781231
Composition C (62.04%), H (3.9%), Cl (11.45%), N (22.61%)
Atom Count34
PI9.11
Smiles[nH]1c2c(c(nc3c1n[nH]c3)c1ccccc1Cl)cc(cc2)N
InChI1S/C16H12ClN5/c17-12-4-2-1-3-10(12)15-11-7-9(18)5-6-13(11)21-16-14(20-15)8-19-22-16/h1-8H,18H2,(H2,1
9,21,22)
InChIKeyLRLOMPHFTKHYKN-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 enzymesPDGFr | FAK | Src | CDK4 | KDR | CDK1 | FGFr | CDK2 | ALL
Pub Chem Link 12043801
Drug Bank Link -
ChemSpider Link 26365171
ChEMBL Link CHEMBL1257911
 
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