Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004498
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article47m
IUPAC NameN-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-3-hydroxy-2,2-dimethylpropanamide
FormulaC26H25ClN6O3S
Mass537.033
Exact Mass536.1397371
Composition C (58.15%), H (4.69%), Cl (6.6%), N (15.65%), O (8.94%), S (5.97%)
Atom Count62
PI10.04
Smilesc1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)CO)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1
InChI1S/C26H25ClN6O3S/c1-26(2,14-34)25(35)28-9-11-33-10-8-19-23(33)24(30-15-29-19)32-16-6-7-21(18(27)12-1
6)36-20-4-3-5-22-17(20)13-31-37-22/h3-8,10,12-13,15,34H,9,11,14H2,1-2H3,(H,28,35)(H,29,30,32)
InChIKeyFWRVTLDCKFPGCK-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
Reference22439974
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 44229840
Drug Bank Link -
ChemSpider Link 28505536
ChEMBL Link -
 
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