Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004187
Inhibitor ClassTriazine
Molecule Name in Refrence Article4 compound
IUPAC Name2-(morpholin-4-yl)ethyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate
FormulaC29H32N8O3
Mass540.6162
Exact Mass540.2597369
Composition C (64.43%), H (5.97%), N (20.73%), O (8.88%)
Atom Count72
PI8.11
SmilesN1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)OCCN1CCOCC1)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1
InChI1S/C29H32N8O3/c1-2-23-25-27(33-22-8-9-24-21(16-22)17-32-37(24)18-20-6-4-3-5-7-20)30-19-31-28(25)34-2
6(23)35-29(38)40-15-12-36-10-13-39-14-11-36/h3-9,16-17,19,28H,2,10-15,18H2,1H3,(H,30,31,33)(H,34,35,
38)/t28-/m1/s1
InChIKeyKEVRXXIPROHNSG-MUUNZHRXSA-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
Reference19821562
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 -
Drug Bank Link -
ChemSpider Link 24639583
ChEMBL Link CHEMBL578255
 
TOP