Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005168
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8z
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
FormulaC25H28ClFN6O4
Mass530.979
Exact Mass530.184459326
Composition C (56.55%), H (5.32%), Cl (6.68%), F (3.58%), N (15.83%), O (12.05%)
Atom Count65
PI9.21
Smiles[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N([H])C2=C([H])C3=C(N=C([H])N=C3C([H])=C2O[C@]2([H])C([H])([H])OC([H])([H])C2([H])[H])N([H])C2=C([H])C(Cl)=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]
InChI1S/C25H28ClFN6O4/c26-19-11-16(1-2-20(19)27)30-24-18-12-22(31-25(35)33-6-4-32(5-7-33)8-9-34)23(13-21(
18)28-15-29-24)37-17-3-10-36-14-17/h1-2,11-13,15,17,34H,3-10,14H2,(H,31,35)(H,28,29,30)/t17-/m0/s1
InChIKeyDRIKMVZVAZKQBE-KRWDZBQOSA-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
Reference24183742
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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