Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003210
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article11c compound
IUPAC Name8-[(2-chloro-5-methoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
FormulaC18H12ClN5O
Mass349.774
Exact Mass349.0730377
Composition C (61.81%), H (3.46%), Cl (10.14%), N (20.02%), O (4.57%)
Atom Count37
PI8.65
Smilesc1(c2c(ncc1C#N)cc1c(c2)nc[nH]1)Nc1cc(ccc1Cl)OC
InChI1S/C18H12ClN5O/c1-25-11-2-3-13(19)15(4-11)24-18-10(7-20)8-21-14-6-17-16(5-12(14)18)22-9-23-17/h2-6,8
-9H,1H3,(H,21,24)(H,22,23)
InChIKeyCSHDSFYZBHILMK-UHFFFAOYSA-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
Reference12217371
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesSRC |
Pub Chem Link 5330115
Drug Bank Link -
ChemSpider Link 4487266
ChEMBL Link CHEMBL92395
 
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