Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003004
Inhibitor ClassIndole
Molecule Name in Refrence Article20 compound
IUPAC Name4-(2-{[(2R)-2-amino-9-[5-(4-aminophenyl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol
FormulaC31H37N3O2
Mass483.6444
Exact Mass483.2885774
Composition C (76.98%), H (7.71%), N (8.69%), O (6.62%)
Atom Count73
PI10.04
Smilesc1c(ccc2c1c1c(n2CCCCCc2ccc(cc2)N)C[C@@H](CC1)N)OCCc1ccc(cc1)O
InChI1S/C31H37N3O2/c32-24-9-5-22(6-10-24)4-2-1-3-18-34-30-16-14-27(36-19-17-23-7-12-26(35)13-8-23)21-29(3
0)28-15-11-25(33)20-31(28)34/h5-10,12-14,16,21,25,35H,1-4,11,15,17-20,32-33H2/t25-/m1/s1
InChIKeySPIQSNYJPSROLJ-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 enzymesVEGFR2 | VEGFR3 | IGF1R | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL1199072
 
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