Detailed information for compound 1347748

Basic information

Technical information
  • TDR Targets ID: 1347748
  • Name: 2-(4-Nitrophenyl)ethanol
  • MW: 167.162 | Formula: C8H9NO3
  • H donors: 1 H acceptors: 3 LogP: 1.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2
  • InChiKey: IKMXRUOZUUKSON-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 100-27-6
  • 4-06-00-03083 (Beilstein Handbook Reference)
  • 4-Nitrobenzeneethanol
  • AI3-36320
  • BRN 1866148
  • CCRIS 6079
  • 2-(p-Nitrophenyl)ethanol
  • 4-Nitrophenethyl alcohol
  • Benzeneethanol, 4-nitro-
  • NSC55519
  • Phenethyl alcohol, p-nitro-
  • p-Nitrophenethyl alcohol
  • 73610_FLUKA
  • ZINC01510307
  • NSC 55519
  • 183466_ALDRICH
  • EINECS 202-835-8
  • Oprea1_314753
  • NCGC00091653-01
  • InChI=1/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0018 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0307 0.0307
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0693 0.6474 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0307 0.1706
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0061 0.0418 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0061 0.0418 0.0646
Onchocerca volvulus 0.0018 0 0.5
Brugia malayi MH2 domain containing protein 0.012 0.0985 0.1521
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0093 0.0727 1
Trypanosoma brucei protein kinase, putative 0.005 0.0307 0.1706
Onchocerca volvulus 0.0018 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2512 0.3879
Trypanosoma brucei trans-sialidase, putative 0.0206 0.1802 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0093 0.0727 0.1123
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0307 0.1706
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 0.9998
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0093 0.0727 1
Echinococcus multilocularis geminin 0.0202 0.1771 0.2736
Trichomonas vaginalis Sialidase-1 precursor, putative 0.1061 1 1
Onchocerca volvulus 0.0018 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0307 0.0307
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0307 0.1706
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 0.5
Schistosoma mansoni hypothetical protein 0.0202 0.1771 0.2736
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 0.9998
Trypanosoma brucei trans-sialidase, putative 0.0206 0.1802 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0985 0.1521
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0307 0.0475
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0307 0.0475
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0307 0.1706
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0985 0.1521
Onchocerca volvulus 0.0018 0 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0093 0.0727 0.1123
Brugia malayi MAP kinase sur-1 0.005 0.0307 0.0475
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0307 0.0475
Onchocerca volvulus 4.1 G protein, putative homolog 0.0018 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0307 0.0475
Trypanosoma brucei trans-sialidase, putative 0.0206 0.1802 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Onchocerca volvulus 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0307 0.0307
Onchocerca volvulus 0.0018 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.028 0.2512 0.3879
Onchocerca volvulus 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0061 0.0418 0.0646
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0693 0.6474 1
Schistosoma mansoni microtubule-associated protein tau 0.0673 0.6275 0.9693
Brugia malayi Probable ClpP-like protease 0.0093 0.0727 0.1123
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0061 0.0418 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0693 0.6474 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0307 0.1706
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0018 0 0.5
Echinococcus granulosus microtubule associated protein 2 0.0673 0.6275 0.9693
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 0.5
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 1
Trypanosoma brucei trans-sialidase 0.0206 0.1802 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0693 0.6474 1
Onchocerca volvulus 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Schistosoma mansoni hypothetical protein 0.0202 0.1771 0.2736
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0061 0.0418 0.4744
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0018 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0307 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.0727 1
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 1
Trypanosoma brucei trans-sialidase, putative 0.0206 0.1802 1
Onchocerca volvulus 0.0018 0 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0693 0.6474 1
Onchocerca volvulus 0.0018 0 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0093 0.0727 1
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0307 0.0475
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 0.9998
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0307 0.0475
Onchocerca volvulus 0.0018 0 0.5
Echinococcus granulosus geminin 0.0202 0.1771 0.2736
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0307 0.0307
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 0.5
Trichomonas vaginalis conserved hypothetical protein 0.066 0.6155 0.6155
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0307 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Onchocerca volvulus 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0206 0.1802 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0673 0.6275 0.9693
Trypanosoma brucei trans-sialidase, putative 0.0206 0.1802 1
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0018 0 0.5
Onchocerca volvulus 0.0018 0 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0093 0.0727 0.1123
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0307 0.2853
Trypanosoma cruzi trans-sialidase, putative 0.0206 0.1802 0.9998
Onchocerca volvulus 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0727 0.1123
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0093 0.0727 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0307 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-002. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-020. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-006. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-022. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-017. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-008. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-012. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-010. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-018. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-001. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-014. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-024. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-026. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-015. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-016. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-021. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-013. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.