Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003007
Inhibitor ClassIndole
Molecule Name in Refrence Article23 compound
IUPAC Name4-(2-{[(2R)-2-amino-9-[5-(pyridin-2-yl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol
FormulaC30H35N3O2
Mass469.6178
Exact Mass469.2729274
Composition C (76.73%), H (7.51%), N (8.95%), O (6.81%)
Atom Count70
PI10.04
Smilesc1c(ccc2c1c1c(n2CCCCCc2ncccc2)C[C@@H](CC1)N)OCCc1ccc(cc1)O
InChI1S/C30H35N3O2/c31-23-10-14-27-28-21-26(35-19-16-22-8-11-25(34)12-9-22)13-15-29(28)33(30(27)20-23)18-
5-1-2-6-24-7-3-4-17-32-24/h3-4,7-9,11-13,15,17,21,23,34H,1-2,5-6,10,14,16,18-20,31H2/t23-/m1/s1
InChIKeyBKXVGUUZDBDGAY-HSZRJFAPSA-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 CHEMBL1199062
 
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