80A

(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

Created: 2009-01-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count46
Aromatic Bond Count12
2D diagram of 80A
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Chemical Component Summary

Name(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Systematic Name (OpenEye OEToolkits)(R)-pyridin-4-yl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
FormulaC18 H22 N2 O2
Molecular Weight298.379
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(O)c2ccncc2)CCN3CCCC3
SMILESCACTVS3.341O[CH](c1ccncc1)c2ccc(OCCN3CCCC3)cc2
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(c2ccncc2)O)OCCN3CCCC3
Canonical SMILESCACTVS3.341 O[C@@H](c1ccncc1)c2ccc(OCCN3CCCC3)cc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3
InChIInChI1.03 InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1
InChIKeyInChI1.03 QQRJWLDQBNAQCC-GOSISDBHSA-N

Drug Info: DrugBank

DrugBank IDDB07258 
Name(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Groups experimental
Synonyms(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

Drug Targets

NameTarget SequencePharmacological ActionActions
Leukotriene A-4 hydrolaseMPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...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 44129623