Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004188
Inhibitor ClassTriazine
Molecule Name in Refrence Article5 compound
IUPAC Name(1r,4r)-4-aminocyclohexyl N-[(7aR)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-7aH-pyrrolo[2,3-d]pyrimidin-6-yl]carbamate
FormulaC29H32N8O2
Mass524.6168
Exact Mass524.2648223
Composition C (66.39%), H (6.15%), N (21.36%), O (6.1%)
Atom Count71
PI10.25
SmilesN1=CN=C(C2=C(C(=N[C@@H]12)NC(=O)O[C@@H]1CC[C@H](CC1)N)CC)Nc1cc2c(cc1)n(nc2)Cc1ccccc1
InChI1S/C29H32N8O2/c1-2-23-25-27(31-17-32-28(25)35-26(23)36-29(38)39-22-11-8-20(30)9-12-22)34-21-10-13-24
-19(14-21)15-33-37(24)16-18-6-4-3-5-7-18/h3-7,10,13-15,17,20,22,28H,2,8-9,11-12,16,30H2,1H3,(H,31,32
,34)(H,35,36,38)/t20-,22-,28-/m1/s1
InChIKeyXYSQNPURJDRMJW-QJCIYXEWSA-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 24628576
ChEMBL Link CHEMBL565467
 
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