Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002483
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article7d compound
IUPAC NameN-benzyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-amine
FormulaC16H15N3S
Mass281.375
Exact Mass281.0986682
Composition C (68.3%), H (5.37%), N (14.93%), S (11.4%)
Atom Count35
PI10.78
Smilesc1(c2c(ncn1)sc1c2CCC1)NCc1ccccc1
InChI1S/C16H15N3S/c1-2-5-11(6-3-1)9-17-15-14-12-7-4-8-13(12)20-16(14)19-10-18-15/h1-3,5-6,10H,4,7-9H2,(H,
17,18,19)
InChIKeyGPRGFUFEZITBFL-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
Reference20961149
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 2172003
Drug Bank Link -
ChemSpider Link 1622935
ChEMBL Link CHEMBL1269717
 
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