Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000161
Inhibitor ClassAnthracycline
Molecule Name in Refrence ArticleDoxorubicin
IUPAC Name(8R,10R)-10-{[(2S,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
FormulaC27H29NO11
Mass543.5193
Exact Mass543.1740608
Composition C (59.66%), H (5.38%), N (2.58%), O (32.38%)
Atom Count68
PI9.06
SmilesC[C@@H]1[C@H]([C@@H](C[C@H](O1)O[C@@H]1C[C@](Cc2c(c3c(c(c12)O)C(=O)c1c(C3=O)cccc1OC)O)(C(=O)CO)O)N)O
InChI1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)
23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15
-,17-,22-,27-/m1/s1
InChIKeyAOJJSUZBOXZQNB-NRLTTXDESA-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
Reference20045222 | 20599299 | 22000924 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 31703
Drug Bank Link -
ChemSpider Link 29400 38201 1628 5291856 133558 30462 75777 4450315 24541069 2497217 5143365 5036669 9888354 9470697 8205813 8069218 2497292 1627 2342239 5145699 13082866 23919311 24539992 24923639 26564227 26353296 24527846 23936041 23936024 23936023 23323058 21258766 21240705 21235215 21234507 21117699 13082865 135302
ChEMBL Link CHEMBL53463
 
TOP