SB4

4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE

Created: 1999-07-08
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count47
Aromatic Bond Count19
2D diagram of SB4
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Chemical Component Summary

Name4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
SynonymsSB220025
Systematic Name (OpenEye OEToolkits)4-[5-(4-fluorophenyl)-3-piperidin-4-yl-imidazol-4-yl]pyrimidin-2-amine
FormulaC18 H19 F N6
Molecular Weight338.382
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc1ccc(cc1)c3ncn(c3c2nc(ncc2)N)C4CCNCC4
SMILESCACTVS3.341Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCNCC4
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F
Canonical SMILESCACTVS3.341 Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCNCC4
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F
InChIInChI1.03 InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
InChIKeyInChI1.03 VSPFURGQAYMVAN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04338 
NameSB220025
Groups experimental
SynonymsSB220025
CategoriesCalcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors

Drug Targets

NameTarget SequencePharmacological ActionActions
Mitogen-activated protein kinase 1MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVR...unknown
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
Pharos CHEMBL274064
PubChem 5164
ChEMBL CHEMBL274064
ChEBI CHEBI:82713