FRC

1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE

Created:2003-12-16
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count2
Bond Count48
Aromatic Bond Count16
2D diagram of FRC

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Chemical Component Summary

Name1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
SynonymsFR247581
Systematic Name (OpenEye OEToolkits)1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxy-pentan-3-yl]imidazole-4-carboxamide
FormulaC19 H21 N3 O3
Molecular Weight339.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N
SMILESCACTVS3.341C[CH](O)[CH](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
SMILESOpenEye OEToolkits1.5.0CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
Canonical SMILESCACTVS3.341 C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
InChIInChI1.03 InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKeyInChI1.03 UYAJDVNLQJVRHD-SCLBCKFNSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07785 
Name1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
Groups experimental
Synonyms1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Adenosine deaminaseMAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...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 CHEMBL92404
PubChem 449015
ChEMBL CHEMBL92404