Detailed information for compound 213015

Basic information

Technical information
  • TDR Targets ID: 213015
  • Name: 3-benzyl-4-hydroxynaphthalene-1-carboxylic ac id
  • MW: 278.302 | Formula: C18H14O3
  • H donors: 2 H acceptors: 3 LogP: 4.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(Cc2ccccc2)c(c2c1cccc2)O
  • InChi: 1S/C18H14O3/c19-17-13(10-12-6-2-1-3-7-12)11-16(18(20)21)14-8-4-5-9-15(14)17/h1-9,11,19H,10H2,(H,20,21)
  • InChiKey: KLYSMSOKAMIIQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-benzyl-4-hydroxy-naphthalene-1-carboxylic acid
  • 3-benzyl-4-hydroxy-1-naphthalenecarboxylic acid
  • 4-hydroxy-3-(phenylmethyl)naphthalene-1-carboxylic acid
  • 3-benzyl-4-hydroxy-1-naphthoic acid
  • 4-hydroxy-3-(phenylmethyl)-1-naphthalenecarboxylic acid
  • 3-(benzyl)-4-hydroxy-1-naphthoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
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
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0191 0.0201
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0064 0.0468
Echinococcus multilocularis expressed protein 0.0044 0.0057 0.0069
Mycobacterium ulcerans multidrug-transport integral membrane protein Mmr 0.0226 0.1236 0.1292
Echinococcus granulosus snurportin 1 0.0342 0.199 0.5721
Onchocerca volvulus 0.0246 0.1369 1
Brugia malayi Intermediate filament tail domain containing protein 0.0093 0.037 0.0429
Schistosoma mansoni hypothetical protein 0.0342 0.199 0.2491
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Mycobacterium ulcerans esterase/lipase LipP 0.0246 0.1369 0.1466
Brugia malayi hypothetical protein 0.0065 0.0191 0.0201
Brugia malayi cytoplasmic intermediate filament protein 0.005 0.009 0.0073
Loa Loa (eye worm) hypothetical protein 0.0093 0.037 0.0469
Echinococcus multilocularis beta LACTamase domain containing family member 0.0246 0.1369 0.3905
Echinococcus multilocularis lamin 0.0093 0.037 0.0985
Loa Loa (eye worm) hypothetical protein 0.0255 0.1425 0.1806
Schistosoma mansoni lamin 0.0093 0.037 0.0429
Onchocerca volvulus 0.0065 0.0191 0.1396
Onchocerca volvulus 0.0044 0.0057 0.0414
Echinococcus granulosus lamin 0.0093 0.037 0.0985
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.1425 0.4069
Loa Loa (eye worm) glutaminase 2 0.1248 0.789 1
Echinococcus multilocularis chromobox protein 1 0.0081 0.0297 0.0771
Trichomonas vaginalis D-aminoacylase, putative 0.0246 0.1369 0.17
Echinococcus granulosus lamin dm0 0.0093 0.037 0.0985
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0246 0.1369 0.1735
Toxoplasma gondii transporter, major facilitator family protein 0.0065 0.0191 0.1184
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.1425 0.4069
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0191 0.0201
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0087 0.0633
Onchocerca volvulus 0.0065 0.0191 0.1396
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Schistosoma mansoni lipoxygenase 0.01 0.0415 0.0487
Brugia malayi chromobox protein homolog 3 0.0046 0.0064 0.004
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0061 1
Mycobacterium ulcerans lipase LipD 0.0246 0.1369 0.1466
Loa Loa (eye worm) acetyltransferase 0.0168 0.0858 0.1088
Loa Loa (eye worm) hypothetical protein 0.0046 0.0064 0.0081
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.0688 0.0834
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0057 0.0072
Brugia malayi TAR-binding protein 0.0141 0.0688 0.0834
Mycobacterium tuberculosis Conserved protein 0.0246 0.1369 0.1149
Onchocerca volvulus 0.0065 0.0191 0.1396
Schistosoma mansoni lipoxygenase 0.0142 0.0694 0.0841
Trichomonas vaginalis D-aminoacylase, putative 0.0246 0.1369 0.17
Echinococcus granulosus chromobox protein 1 0.0081 0.0297 0.0771
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0688 0.0834
Brugia malayi hypothetical protein 0.0065 0.0191 0.0201
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0297 0.0376
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0191 0.1396
Echinococcus granulosus tar DNA binding protein 0.0141 0.0688 0.1915
Loa Loa (eye worm) intermediate filament protein 0.0093 0.037 0.0469
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0057 0.003
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0072
Mycobacterium tuberculosis Conserved protein 0.0246 0.1369 0.1149
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.0858 0.2412
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0088 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0246 0.1369 1
Onchocerca volvulus 0.0052 0.0105 0.077
Mycobacterium ulcerans beta-lactamase 0.0246 0.1369 0.1466
Schistosoma mansoni hypothetical protein 0.0567 0.3454 0.4355
Mycobacterium leprae conserved hypothetical protein 0.0246 0.1369 1
Echinococcus multilocularis geminin 0.0567 0.3454 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0057 0.0177
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0694 0.1932
Echinococcus multilocularis tar DNA binding protein 0.0141 0.0688 0.1915
Loa Loa (eye worm) glutaminase 0.1248 0.789 1
Trichomonas vaginalis glutaminase, putative 0.1248 0.789 1
Schistosoma mansoni organic anion transporter 0.0065 0.0191 0.0201
Echinococcus multilocularis follistatin 0.0044 0.0057 0.0069
Loa Loa (eye worm) beta-lactamase 0.0246 0.1369 0.1735
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0694 0.1932
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0057 0.0177
Echinococcus multilocularis snurportin 1 0.0342 0.199 0.5721
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.0688 0.0872
Brugia malayi beta-lactamase family protein 0.0246 0.1369 0.17
Echinococcus granulosus Solute carrier organic anion transporter family 0.0065 0.0191 0.0462
Brugia malayi SPARC precursor 0.0044 0.0057 0.003
Mycobacterium ulcerans hypothetical protein 0.0246 0.1369 0.1466
Brugia malayi RNA, U transporter 1 0.0091 0.0359 0.0415
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0297 0.0336
Schistosoma mansoni lamin 0.0093 0.037 0.0429
Echinococcus granulosus agrin 0.0044 0.0057 0.0069
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0064 0.004
Trichomonas vaginalis D-aminoacylase, putative 0.0246 0.1369 0.17
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Brugia malayi secreted modular calcium-binding protein 1 0.0044 0.0057 0.003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0246 0.1369 0.17
Echinococcus granulosus follistatin 0.0044 0.0057 0.0069
Echinococcus multilocularis agrin 0.0044 0.0057 0.0069
Schistosoma mansoni hypothetical protein 0.0052 0.0105 0.0092
Brugia malayi hypothetical protein 0.0255 0.1425 0.1772
Schistosoma mansoni hypothetical protein 0.006 0.0157 0.0157
Schistosoma mansoni glutaminase 0.1248 0.789 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0246 0.1369 0.1149
Loa Loa (eye worm) hypothetical protein 0.0091 0.0359 0.0455
Echinococcus multilocularis chromobox protein 1 0.0081 0.0297 0.0771
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0061 0.5
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0065 0.0191 0.0462
Brugia malayi sodium-independent organic anion transporter family protein 0.0065 0.0191 0.0201
Mycobacterium tuberculosis Probable lipase LipE 0.0246 0.1369 0.1149
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0246 0.1369 0.1149
Loa Loa (eye worm) RNA binding protein 0.0141 0.0688 0.0872
Echinococcus granulosus beta LACTamase domain containing family member 0.0246 0.1369 0.3905
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0105 0.0092
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0191 0.1396
Mycobacterium tuberculosis Probable esterase LipL 0.0246 0.1369 0.1149
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Echinococcus granulosus chromobox protein 1 0.0081 0.0297 0.0771
Mycobacterium ulcerans glutaminase 0.1248 0.789 1
Echinococcus multilocularis musashi 0.0093 0.037 0.0985
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0045 0.0058 0.0073
Trypanosoma brucei beta lactamase 0.0074 0.0249 0.1617
Toxoplasma gondii protease inhibitor PI2 0.0044 0.0057 0.0177
Trichomonas vaginalis penicillin-binding protein, putative 0.0246 0.1369 0.17
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0072
Echinococcus granulosus intermediate filament protein 0.0093 0.037 0.0985
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0342 0.199 0.2523
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0072
Trichomonas vaginalis penicillin-binding protein, putative 0.0246 0.1369 0.17
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0297 0.0336
Plasmodium vivax hypothetical protein, conserved 0.0246 0.1369 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0057 0.003
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Schistosoma mansoni chromobox protein 0.0081 0.0297 0.0336
Schistosoma mansoni follistatin 0.0044 0.0057 0.003
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0087 0.0068
Schistosoma mansoni hypothetical protein 0.0567 0.3454 0.4355
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0061 1
Schistosoma mansoni agrin 0.0044 0.0057 0.003
Brugia malayi prostaglandin transporter 0.0065 0.0191 0.0201
Mycobacterium ulcerans multidrugs-transport integral membrane protein Mmr-like 0.0896 0.5599 0.7001
Onchocerca volvulus 0.0065 0.0191 0.1396
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0246 0.1369 0.1149
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Trypanosoma cruzi MFS transporter, putative 0.0065 0.0191 0.1184
Loa Loa (eye worm) hypothetical protein 0.0045 0.0058 0.0074
Loa Loa (eye worm) ICD-1 protein 0.0041 0.0033 0.0042
Echinococcus granulosus histone acetyltransferase KAT2B 0.0163 0.0828 0.2323
Mycobacterium tuberculosis Probable hydrolase 0.0246 0.1369 0.1149
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0154 0.0771 0.0535
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0246 0.1369 0.1466
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.0858 0.105
Loa Loa (eye worm) agrin synaptic family protein 0.0044 0.0057 0.0072
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.005 0.009 0.0114
Schistosoma mansoni chromobox protein 0.0081 0.0297 0.0336
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0688 0.0834
Brugia malayi RNA binding protein 0.0141 0.0688 0.0834
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0088 0.007
Brugia malayi beta-lactamase family protein 0.0246 0.1369 0.17
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0688 0.0834
Loa Loa (eye worm) TAR-binding protein 0.0141 0.0688 0.0872
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0064 0.004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0246 0.1369 0.17
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0088 0.0412
Schistosoma mansoni survival motor neuron protein 0.0052 0.0105 0.0092
Mycobacterium tuberculosis Conserved protein 0.0246 0.1369 0.1149
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0088 0.0412
Echinococcus multilocularis lamin dm0 0.0093 0.037 0.0985
Mycobacterium leprae Probable lipase LipE 0.0246 0.1369 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0246 0.1369 0.17
Schistosoma mansoni organic anion transporter 0.0065 0.0191 0.0201
Brugia malayi intermediate filament protein 0.0093 0.037 0.0429
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0688 0.0834
Leishmania major hypothetical protein, conserved 0.0246 0.1369 1
Onchocerca volvulus 0.0065 0.0191 0.1396
Brugia malayi glutaminase DH11.1 0.1248 0.789 1
Toxoplasma gondii ABC1 family protein 0.0246 0.1369 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.006
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0057 0.0177
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0093 0.037 0.0469
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0088 0.0161
Brugia malayi Heterochromatin protein 1 0.0081 0.0297 0.0336
Loa Loa (eye worm) hypothetical protein 0.0065 0.0191 0.0242
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0065 0.0191 0.0242
Echinococcus granulosus geminin 0.0567 0.3454 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0057 0.003
Schistosoma mansoni intermediate filament proteins 0.0093 0.037 0.0429
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0087 0.0068
Onchocerca volvulus Putative organic anion transporter 0.0065 0.0191 0.1396
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0044 0.0057 0.003
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0088 0.0412
Trypanosoma brucei hypothetical protein, conserved 0.0246 0.1369 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0045 0.0058 0.0073
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0065 0.0191 0.0462
Brugia malayi beta-lactamase 0.0246 0.1369 0.17
Trichomonas vaginalis esterase, putative 0.0246 0.1369 0.17
Schistosoma mansoni tar DNA-binding protein 0.0141 0.0688 0.0834
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0044 0.0057 0.0177
Onchocerca volvulus 0.0093 0.037 0.2703
Onchocerca volvulus 0.0246 0.1369 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0154 0.0771 0.0683
Mycobacterium tuberculosis Probable lipase LipD 0.0246 0.1369 0.1149
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.0858 0.105
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0065 0.0191 0.0462
Trypanosoma cruzi hypothetical protein, conserved 0.0246 0.1369 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0047 0.006
Loa Loa (eye worm) hypothetical protein 0.0246 0.1369 0.1735
Onchocerca volvulus 0.0093 0.037 0.2703
Onchocerca volvulus 0.0246 0.1369 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.8 uM Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line ChEMBL. 2104936
IC50 (binding) = 5.8 uM Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line ChEMBL. 2104936
IC50 (binding) = 5.8 uM Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (RBL) cells ChEMBL. No reference
Inhibition (functional) = 3 % Percentage inhibition of the mouse arachidonic acid induced ear edema assay (AA) at a dose of 100 microg/ear ChEMBL. 2104936
Inhibition (functional) = 3 % Percentage inhibition of the mouse arachidonic acid induced ear edema assay (AA) at a dose of 100 microg/ear ChEMBL. 2104936

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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