Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003008
Inhibitor ClassIndole
Molecule Name in Refrence Article24 compound
IUPAC Name4-(2-{[(2R)-2-amino-9-(5-phenylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol
FormulaC31H36N2O2
Mass468.6297
Exact Mass468.2776784
Composition C (79.45%), H (7.74%), N (5.98%), O (6.83%)
Atom Count71
PI10.04
Smilesc1c(ccc2c1c1c(n2CCCCCc2ccccc2)C[C@@H](CC1)N)OCCc1ccc(cc1)O
InChI1S/C31H36N2O2/c32-25-12-16-28-29-22-27(35-20-18-24-10-13-26(34)14-11-24)15-17-30(29)33(31(28)21-25)1
9-6-2-5-9-23-7-3-1-4-8-23/h1,3-4,7-8,10-11,13-15,17,22,25,34H,2,5-6,9,12,16,18-21,32H2/t25-/m1/s1
InChIKeyBPRXQJHGQWLQGA-RUZDIDTESA-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
Reference20456957
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesIGF1R | VEGFR2 | VEGFR3 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL1199126
 
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