Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003869
Inhibitor ClassPyrido-thieno-pyrimidine
Molecule Name in Refrence Article74 compound
IUPAC NameN-(3-chlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
FormulaC15H9ClN4S
Mass312.777
Exact Mass312.0236447
Composition C (57.6%), H (2.9%), Cl (11.33%), N (17.91%), S (10.25%)
Atom Count30
PI8.03
Smilesc12sc3c(c1ncnc2Nc1cc(Cl)ccc1)cccn3
InChI1S/C15H9ClN4S/c16-9-3-1-4-10(7-9)20-14-13-12(18-8-19-14)11-5-2-6-17-15(11)21-13/h1-8H,(H,18,19,20)
InChIKeyLRYUYVGCKNONRJ-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
Reference10639288
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 5328422
Drug Bank Link -
ChemSpider Link 4485587
ChEMBL Link CHEMBL150390
 
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