Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000326
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2k compound
IUPAC NameN-(1,3-benzothiazol-6-yl)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC20H17N5O3S
Mass407.446
Exact Mass407.1052101
Composition C (58.96%), H (4.21%), N (17.19%), O (11.78%), S (7.87%)
Atom Count46
PI8.13
Smilesc12c(ncnc1Nc1ccc3c(c1)scn3)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C20H17N5O3S/c1-26-15-5-11-8-21-18-19(25-12-3-4-13-17(6-12)29-10-24-13)22-9-23-20(18)28-14(11)7-16
(15)27-2/h3-7,9-10,21H,8H2,1-2H3,(H,22,23,25)
InChIKeyMWMJWMHDESAPBK-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 enzymesKDR or VEGFR2 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23275987
ChEMBL Link CHEMBL377730
 
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