Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001275
Inhibitor ClassIso-quinoline
Molecule Name in Refrence ArticleDICENTRINE
IUPAC Name(12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,14,16,18-hexaene
FormulaC20H21NO4
Mass339.385
Exact Mass339.1470582
Composition C (70.78%), H (6.24%), N (4.13%), O (18.86%)
Atom Count46
PINo isoelectric point
SmilesCN1CCc2cc3c(c4c2[C@@H]1Cc1cc(c(cc41)OC)OC)OCO3
InChI1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,
14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKeyYJWBWQWUHVXPNC-AWEZNQCLSA-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
Reference20005213
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 101300
Drug Bank Link -
ChemSpider Link 91532
ChEMBL Link CHEMBL464748
 
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