Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003295
Inhibitor ClassAmino-pyrazole
Molecule Name in Refrence Article41 compound
IUPAC NameN-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(naphthalen-2-yl)acetamide
FormulaC18H17N3O
Mass291.3471
Exact Mass291.1371622
Composition C (74.2%), H (5.88%), N (14.42%), O (5.49%)
Atom Count39
PI7.74
SmilesC1CC1c1cc([nH]n1)NC(=O)Cc1cc2c(cc1)cccc2
InChI1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8
,10H2,(H2,19,20,21,22)
InChIKeyRIGZCVNCFXYBEG-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
Reference15189033
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesABL | AKT1 | Aur2 | CDC7/DBF4 | CDK1/cyclinB | CDK2/cyclinA | CDK2/cyclinE | CDK4/cyclinD1 | CDK5/p25 | CHK1 | CK2 | EGFR-1 | ERK2 | FGFR1 | GSK-3 beta | IGFR1 | IKK-2 | IKKi | IR | KIT | LCK | LYN | MET | p38R | PAK4 | PDGFR-1 | PDK1 | PKC beta | PLK1 | RET | STLK2 | TRKA | VEGFR2 | VEGFR3 | ZAP70 | ALL
Pub Chem Link 449087
Drug Bank Link -
ChemSpider Link 395710
ChEMBL Link CHEMBL115220
 
TOP