4NA

1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL

Created:2005-03-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count32
Aromatic Bond Count18
2D diagram of 4NA

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
Systematic Name (OpenEye OEToolkits)1-chloro-6-(4-hydroxyphenyl)naphthalen-2-ol
FormulaC16 H11 Cl O2
Molecular Weight270.71
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc2c(O)ccc1cc(ccc12)c3ccc(O)cc3
SMILESCACTVS3.341Oc1ccc(cc1)c2ccc3c(Cl)c(O)ccc3c2
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1)c2ccc3c(Cl)c(O)ccc3c2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O
InChIInChI1.03 InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H
InChIKeyInChI1.03 YHEHVRSGKUYDON-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07119 
Name1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
Groups experimental
Synonyms1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Estrogen receptorMTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...unknowninhibitor
Estrogen receptor betaMDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYS...unknowninhibitor
Nuclear receptor coactivator 1MSGLGDSSSDPANPDSHKRKGSPCDTLASSTEKRRREQENKYLEELAELL...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 CHEMBL364092
PubChem 6102690
ChEMBL CHEMBL364092