Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001937
Inhibitor ClassQuinoline
Molecule Name in Refrence Article40 compound
IUPAC NameN-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]-3-ethynyl-6,7-dimethoxyquinolin-4-amine
FormulaC22H19BrN2O2
Mass423.302
Exact Mass422.0629905
Composition C (62.42%), H (4.52%), Br (18.88%), N (6.62%), O (7.56%)
Atom Count46
PINo isoelectric point.
Smilesc12cc(c(cc1ncc(c2N[C@@H]1[C@H](C1)c1ccc(cc1)Br)C#C)OC)OC
InChI1S/C22H19BrN2O2/c1-4-13-12-24-18-11-21(27-3)20(26-2)10-17(18)22(13)25-19-9-16(19)14-5-7-15(23)8-6-14
/h1,5-8,10-12,16,19H,9H2,2-3H3,(H,24,25)/t16-,19+/m1/s1
InChIKeyAFBYUVRCTPKYMH-APWZRJJASA-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 enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
TOP