Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001130
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article35 compound
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine
FormulaC21H25N5S
Mass379.522
Exact Mass379.1830665
Composition C (66.46%), H (6.64%), N (18.45%), S (8.45%)
Atom Count52
PI12.43
Smilesc12c3c(sc1CCCC2)ncnc3Nc1ccc(cc1)N1CCN(CC1)C
InChI1S/C21H25N5S/c1-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-20-19-17-4-2-3-5-18(17)27-21(19)23-14-22-20
/h6-9,14H,2-5,10-13H2,1H3,(H,22,23,24)
InChIKeyUHAXHMRFSJQMPN-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
Reference18500794
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 1069156
Drug Bank Link -
ChemSpider Link 912090
ChEMBL Link CHEMBL486089
 
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