Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005152
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8j
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(3,3-dimethoxypropyl)urea
FormulaC24H27ClFN5O5
Mass519.953
Exact Mass519.168474911
Composition C (55.44%), H (5.23%), Cl (6.82%), F (3.65%), N (13.47%), O (15.39%)
Atom Count63
PI8.06
Smiles[H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])(OC([H])([H])[H])OC([H])([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H]
InChI1S/C24H27ClFN5O5/c1-33-22(34-2)5-7-27-24(32)31-20-10-16-19(11-21(20)36-15-6-8-35-12-15)28-13-29-23(1
6)30-14-3-4-18(26)17(25)9-14/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H2,27,31,32)(H,28,29,30)/t15-/m0/s1
InChIKeyAGEKYFHTUYMNNG-HNNXBMFYSA-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 enzymesRET | RON | ABL | Flt-1 | KDR | c-Kit | PDGFR-a | PDGFR-b | EPH-A2 | IGF1R | FGFR1 | ALL
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