Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004071
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article46 compound
IUPAC NameN-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
FormulaC29H33FN6O4S
Mass580.674
Exact Mass580.2268025
Composition C (59.98%), H (5.73%), F (3.27%), N (14.47%), O (11.02%), S (5.52%)
Atom Count74
PI9.02
Smilesc1(c(cc2c(c1)c(ncn2)Nc1sc(cn1)CC(=O)Nc1cc(ccc1)F)OCCCN1CC[C@H](CC1)CO)OC
InChI1S/C29H33FN6O4S/c1-39-25-14-23-24(15-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)32-18-33-28(23)35-29-31
-16-22(41-29)13-27(38)34-21-5-2-4-20(30)12-21/h2,4-5,12,14-16,18-19,37H,3,6-11,13,17H2,1H3,(H,34,38)
(H,31,32,33,35)
InChIKeyQNJAKUMXJFWQOG-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
Reference16451062
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesJNK1A | P38A | PKA | KDR | IGFR | CSK | JAK3 | SRC | FAK | CDK2 | FGFR | ALL
Pub Chem Link 9916282
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL201307
 
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