Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001413
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article15m compound
IUPAC Name(3R,5S)-5-(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate
FormulaC31H29N7O3S
Mass579.672
Exact Mass579.2052585
Composition C (64.23%), H (5.04%), N (16.91%), O (8.28%), S (5.53%)
Atom Count71
PI11.15
Smilesn1cnc2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1
InChI1S/C31H29N7O3S/c39-31(37-10-12-40-13-11-37)41-25-15-23(32-18-25)6-8-26-16-27-29(42-26)30(34-20-33-27
)36-24-7-9-28-22(14-24)17-35-38(28)19-21-4-2-1-3-5-21/h1-5,7,9,14,16-17,20,23,25,32H,10-13,15,18-19H
2,(H,33,34,36)/t23-,25-/m1/s1
InChIKeySDHRCQGCPUPURT-ILBGXUMGSA-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
Reference19208477
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 25263257
Drug Bank Link -
ChemSpider Link 23335697
ChEMBL Link CHEMBL507821
 
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