GK4

N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide

Created: 2007-10-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count19
2D diagram of GK4
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Chemical Component Summary

NameN-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
Systematic Name (OpenEye OEToolkits)N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
FormulaC21 H21 N3 O2
Molecular Weight347.41
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NCC1CC1)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4
SMILESCACTVS3.341Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C
Canonical SMILESCACTVS3.341 Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C
InChIInChI1.03 InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
InChIKeyInChI1.03 FOHZGCHKLPIBBX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07834 
NameN-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
Groups experimental
SynonymsN-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Mitogen-activated protein kinase 14MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 21078798
ChEMBL CHEMBL273158