Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004997
Inhibitor Class-
Molecule Name in Refrence Article15
IUPAC Name4‐({5,6‐dimethylthieno[2,3‐d]pyrimidin‐4‐yl}amino)phenol
FormulaC14H13N3OS
Mass271.338
Exact Mass271.077932743
Composition C (61.97%), H (4.83%), N (15.49%), O (5.9%), S (11.82%)
Atom Count32
PI6.66
Smiles[H]OC1=C([H])C([H])=C(N([H])C2=NC([H])=NC3=C2C(=C(S3)C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
InChI1S/C14H13N3OS/c1-8-9(2)19-14-12(8)13(15-7-16-14)17-10-3-5-11(18)6-4-10/h3-7,18H,1-2H3,(H,15,16,17)
InChIKeyVCSVHMZXGGPANP-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
Reference22607878
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 733566
Drug Bank Link -
ChemSpider Link 640858
ChEMBL Link CHEMBL1428091
 
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