Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004115
Inhibitor ClassSteroid
Molecule Name in Refrence Article13 compound
IUPAC Name(2R,3S,6E,11S,14S,15S,17R)-6-({[3-(dimethylamino)propyl](methyl)amino}methylidene)-8,14-dihydroxy-17-methoxy-3-(methoxymethyl)-2,15-dimethyl-4-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-diene-5,9-dione
FormulaC28H42N2O7
Mass518.6423
Exact Mass518.2992017
Composition C (64.84%), H (8.16%), N (5.4%), O (21.59%)
Atom Count79
PI10.96
Smiles[C@@]12([C@H](OC(=O)/C(=CN(CCCN(C)C)C)/C1=C(C(=O)C1=C2[C@@H](C[C@]2([C@@H]1CC[C@@H]2O)C)OC)O)COC)C
InChI1S/C28H42N2O7/c1-27-13-18(36-7)23-21(17(27)9-10-19(27)31)24(32)25(33)22-16(14-30(5)12-8-11-29(3)4)26
(34)37-20(15-35-6)28(22,23)2/h14,17-20,31,33H,8-13,15H2,1-7H3/b16-14+/t17-,18-,19+,20-,27+,28+/m1/s1
InChIKeyLQACSDCBWXOIPN-LMGQOZPCSA-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
Reference18269228
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesBTK | EGFR | GSK-3 | IGFR | IKK beta | KDR | MEK1 | MK2 | PDK1 | AKT1 | LCK | LYN | S6K1 | Tpl2 | CDK4 | PI3K delta | PI3K beta | mTOR | PI3K alpha | PI3K gamma | ALL
Pub Chem Link 11526786
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL410643
 
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