Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002573
Inhibitor ClassSulfonyl-benzoyl-Nitrostyrene
Molecule Name in Refrence Article22 compound
IUPAC Name[(2R)-1-{[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]oxy}-1-oxopropan-2-yl]amino (2R)-2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}propanoate
FormulaC28H35N5O12S
Mass665.669
Exact Mass665.2002923
Composition C (50.52%), H (5.3%), N (10.52%), O (28.84%), S (4.82%)
Atom Count81
PI8.72
Smilesc1(C(=O)N[C@H](C)C(=O)ON[C@@H](C(=O)ONCCNC(=O)OC(C)(C)C)C)ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-]
InChI1S/C28H35N5O12S/c1-18(25(35)44-32-19(2)26(36)43-30-16-15-29-27(37)42-28(3,4)5)31-24(34)21-8-12-23(13
-9-21)46(40,41)45-22-10-6-20(7-11-22)14-17-33(38)39/h6-14,17-19,30,32H,15-16H2,1-5H3,(H,29,37)(H,31,
34)/b17-14+/t18-,19-/m1/s1
InChIKeySYQIXFUYKSTPNI-BOVXVXHCSA-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
Reference1652014
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPKC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL309073
 
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