Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005051
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9
IUPAC Name2‐[({4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}amino)methyl]‐4‐chlorophenol
FormulaC21H16BrClN4O
Mass455.735
Exact Mass454.019601508
Composition C (55.34%), H (3.54%), Br (17.53%), Cl (7.78%), N (12.29%), O (3.51%)
Atom Count44
PI6.56
Smiles[H]OC1=C(C([H])=C(Cl)C([H])=C1[H])C([H])([H])N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C([H])=C([H])C(Br)=C3[H])C2=C1[H]
InChI1S/C21H16BrClN4O/c22-14-2-1-3-17(9-14)27-21-18-10-16(5-6-19(18)25-12-26-21)24-11-13-8-15(23)4-7-20(1
3)28/h1-10,12,24,28H,11H2,(H,25,26,27)
InChIKeyHAMPNQBDWBFVKS-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
Reference23936329
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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