Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002338
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article8 compound
IUPAC Name5-[(2R)-2-(2-methoxyphenyl)pentyl]furo[2,3-d]pyrimidine-2,4-diamine
FormulaC18H22N4O2
Mass326.3929
Exact Mass326.174276
Composition C (66.24%), H (6.79%), N (17.17%), O (9.8%)
Atom Count46
PI10.22
Smilesn1c(nc2c(c1N)c(co2)C[C@@H](CCC)c1ccccc1OC)N
InChI1S/C18H22N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-8,10-1
1H,3,6,9H2,1-2H3,(H4,19,20,21,22)/t11-/m1/s1
InChIKeyYGUDCFAGRCRLHT-LLVKDONJSA-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
Reference19748785
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR2 | PDGFR beta | DHFR human | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24655219
ChEMBL Link CHEMBL605413
 
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