Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002251
Inhibitor ClassBenzo-thiazole
Molecule Name in Refrence Article20 compound
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-7-chloroquinolin-4-amine
FormulaC22H14ClN3S
Mass387.885
Exact Mass387.0596959
Composition C (68.12%), H (3.64%), Cl (9.14%), N (10.83%), S (8.27%)
Atom Count41
PI12.4
Smilesc1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc2c1ccc(c2)Cl
InChI1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-
22/h1-13H,(H,24,25)
InChIKeyIFTCXKUSJMWVRD-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
Reference19211246
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesEphB4 | InsR | Aurora A | Src | VEGFR2 | TIE2 | Aurora B | IGF1R | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335929
ChEMBL Link CHEMBL474543
 
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