Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003005
Inhibitor ClassIndole
Molecule Name in Refrence Article21 compound
IUPAC Name4-(2-{[(2R)-2-amino-9-[5-(4-methoxyphenyl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol
FormulaC32H38N2O3
Mass498.6557
Exact Mass498.2882431
Composition C (77.08%), H (7.68%), N (5.62%), O (9.63%)
Atom Count75
PI10.04
Smilesc1c(ccc2c1c1c(n2CCCCCc2ccc(cc2)OC)C[C@@H](CC1)N)OCCc1ccc(cc1)O
InChI1S/C32H38N2O3/c1-36-27-13-8-23(9-14-27)5-3-2-4-19-34-31-17-15-28(37-20-18-24-6-11-26(35)12-7-24)22-3
0(31)29-16-10-25(33)21-32(29)34/h6-9,11-15,17,22,25,35H,2-5,10,16,18-21,33H2,1H3/t25-/m1/s1
InChIKeyUSMNNPBQNMVYQK-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 enzymesVEGFR3 | IGF1R | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL1199051
 
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