Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001932
Inhibitor ClassQuinoline
Molecule Name in Refrence Article35 compound
IUPAC Name7-[4-(morpholin-4-ylmethyl)phenyl]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
FormulaC30H28N4O
Mass460.5695
Exact Mass460.2263115
Composition C (78.23%), H (6.13%), N (12.16%), O (3.47%)
Atom Count63
PINo isoelectric point.
Smilesc1c(cc2c(c1)c(c(cn2)C#N)N[C@@H]1C[C@H]1c1ccccc1)c1ccc(cc1)CN1CCOCC1
InChI1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22)20-34-12-14-35-15-13-34)10-11-26(28)30(25)33-
29-17-27(29)23-4-2-1-3-5-23/h1-11,16,19,27,29H,12-15,17,20H2,(H,32,33)/t27-,29+/m0/s1
InChIKeyVIGFESXSWDXMJU-LMSSTIIKSA-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
Reference17827009
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC | KDR | ABL | SYK | Flt-1 | ALL
Pub Chem Link 44442745
Drug Bank Link -
ChemSpider Link 23307343
ChEMBL Link CHEMBL399438
 
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