Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000333
Inhibitor ClassOxazepine
Molecule Name in Refrence Article2r compound
IUPAC Name7-[(3-bromophenyl)sulfanyl]-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
FormulaC19H16BrN3O3S
Mass446.318
Exact Mass445.0095747
Composition C (51.13%), H (3.61%), Br (17.9%), N (9.41%), O (10.75%), S (7.18%)
Atom Count43
PI7.16
Smilesc12c(ncnc1Sc1cc(ccc1)Br)Oc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H16BrN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-1
3/h3-8,10,21H,9H2,1-2H3
InChIKeyHNHXWUPOJFGKIK-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 11655241
Drug Bank Link -
ChemSpider Link 9829979
ChEMBL Link CHEMBL214853
 
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