Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000350
Inhibitor ClassThiazepine
Molecule Name in Refrence Article3p compound
IUPAC NameN-(3H-indazol-6-yl)-13,14-dimethoxy-5-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC21H20N6O2S
Mass420.488
Exact Mass420.1368446
Composition C (59.98%), H (4.79%), N (19.99%), O (7.61%), S (7.63%)
Atom Count50
PI8.76
Smilesc12c(nc(nc1Nc1cc3c(cc1)CN=N3)C)Sc1c(CN2)cc(c(c1)OC)OC
InChI1S/C21H20N6O2S/c1-11-24-20(26-14-5-4-12-10-23-27-15(12)7-14)19-21(25-11)30-18-8-17(29-3)16(28-2)6-13
(18)9-22-19/h4-8,22H,9-10H2,1-3H3,(H,24,25,26)
InChIKeyPHJXJIVBKDWKSF-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
Reference16887347
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23275908
ChEMBL Link CHEMBL213371
 
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