Detailed information for compound 188871

Basic information

Technical information
  • TDR Targets ID: 188871
  • Name: 4-ethoxybenzoic acid
  • MW: 166.174 | Formula: C9H10O3
  • H donors: 1 H acceptors: 2 LogP: 1.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=O)O
  • InChi: 1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
  • InChiKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 619-86-3
  • AIDS-027805
  • AIDS027805
  • 144959_ALDRICH
  • AH-034/32461045
  • ARONIS009499
  • Benzoic acid, 4-ethoxy-
  • Benzoic acid, p-ethoxy-
  • NSC8705
  • p-Ethoxybenzoic acid
  • SBB015394
  • InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11
  • AI3-20152
  • Benzoic acid, p-ethoxy- (8CI)
  • EINECS 210-616-3
  • NSC 8705

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Leishmania major vacuolar ATP synthase subunit b, putative 0.006 0.0057 0.1051
Trichomonas vaginalis ATP synthase, putative 0.006 0.0057 1
Trypanosoma brucei Vacuolar proton pump subunit B, putative 0.006 0.0057 0.1051
Onchocerca volvulus ATP synthase subunit alpha, mitochondrial homolog 0.0222 0.0417 1
Chlamydia trachomatis type III secretion system ATPase 0.0103 0.0152 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0004 0.0612
Echinococcus granulosus ATP synthase subunit beta mitochondrial 0.0103 0.0152 0.2867
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit alpha 0.0222 0.0417 0.2128
Schistosoma mansoni ATP synthase alpha subunit vacuolar 0.006 0.0057 0.0869
Mycobacterium leprae PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA 0.0222 0.0417 0.0166
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit B 0.0913 0.1951 1
Leishmania major ATPase beta subunit, putative 0.0103 0.0152 0.2867
Plasmodium vivax hypothetical protein, conserved 0.0188 0.0341 0.6486
Leishmania major ATPase beta subunit, putative 0.0103 0.0152 0.2867
Mycobacterium tuberculosis Probable ATP synthase alpha chain AtpA 0.0222 0.0417 0.0165
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) 0.0531 0.1102 0.0875
Entamoeba histolytica V-type ATPase, B subunit, putative 0.006 0.0057 1
Plasmodium vivax vacuolar ATP synthase catalytic subunit A, putative 0.006 0.0057 0.1051
Mycobacterium ulcerans F0F1 ATP synthase subunit gamma 0.015 0.0256 0.0106
Trypanosoma cruzi ATPase subunit 9, putative 0.0271 0.0525 1
Trypanosoma brucei Mitochondrial ATP synthase subunit c-3 0.0271 0.0525 1
Mycobacterium ulcerans F0F1 ATP synthase subunit epsilon 0.0188 0.0341 0.0193
Trypanosoma cruzi Vacuolar proton pump subunit B, putative 0.006 0.0057 0.1051
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.0271 0.0525 0.8265
Toxoplasma gondii ATP synthase, putative 0.0188 0.0341 0.6486
Trypanosoma brucei ATP synthase F1 subunit gamma protein, putative 0.015 0.0256 0.4859
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0009 0.013
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.015 0.0256 0.4859
Trypanosoma cruzi ATPase subunit 9, putative 0.0271 0.0525 1
Leishmania major vacuolar ATP synthase catalytic subunit A, putative 0.006 0.0057 0.1051
Leishmania major ATPase subunit 9, putative 0.0271 0.0525 1
Trypanosoma cruzi ATPase subunit 9, putative 0.0271 0.0525 1
Brugia malayi vacuolar ATP synthase catalytic subunit A, osteoclast isoform 0.006 0.0057 0.1051
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit epsilon 0.0188 0.0341 0.1739
Onchocerca volvulus ATP synthase subunit delta, mitochondrial homolog 0.0188 0.0341 0.5284
Mycobacterium leprae PROBABLE ATP SYNTHASE BETA CHAIN ATPD 0.0237 0.045 0.0201
Schistosoma mansoni ATP synthase F0 subunit 6 0.032 0.0634 1
Trypanosoma cruzi V-type proton ATPase subunit B, putative 0.006 0.0057 0.1051
Brugia malayi ATP synthase beta chain, mitochondrial precursor, putative 0.0103 0.0152 0.2867
Mycobacterium ulcerans F0F1 ATP synthase subunit alpha 0.0222 0.0417 0.0271
Trypanosoma cruzi ATP synthase, epsilon chain, putative 0.0188 0.0341 0.6486
Echinococcus multilocularis ATP synthase subunit delta, mitochondrial 0.0188 0.0341 0.6486
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0531 0.1102 0.0972
Schistosoma mansoni ATP synthase gamma subunit 0.015 0.0256 0.4016
Schistosoma mansoni ATP synthase gamma subunit 0.015 0.0256 0.4016
Mycobacterium ulcerans F0F1 ATP synthase subunit delta 0.0948 0.203 0.1922
Schistosoma mansoni ATP synthase lipid-binding protein-like protein 0.0271 0.0525 0.8265
Trypanosoma cruzi V-type ATPase, A subunit, putative 0.006 0.0057 0.1051
Echinococcus granulosus ATP synthase gamma subunit 0.015 0.0256 0.4859
Mycobacterium tuberculosis Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein) 0.0271 0.0525 0.0276
Schistosoma mansoni ATP synthase gamma subunit 0.015 0.0256 0.4016
Trypanosoma brucei hypothetical protein 0.0236 0.0448 0.854
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0004 0.0612
Echinococcus multilocularis vacuolar ATP synthase subunit b 0.006 0.0057 0.1051
Mycobacterium leprae PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC 0.0188 0.0341 0.0088
Leishmania major ATPase subunit 9, putative 0.0271 0.0525 1
Echinococcus multilocularis mitochondrial ATP synthase subunit 9 0.0271 0.0525 1
Trypanosoma cruzi V-type ATPase, A subunit, putative 0.006 0.0057 0.1051
Echinococcus granulosus vacuolar ATP synthase subunit b 0.006 0.0057 0.1051
Trypanosoma cruzi ATP synthase F1 subunit gamma protein, putative 0.015 0.0256 0.4859
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0188 0.034 0.6474
Treponema pallidum flagellum-specific ATP synthase (fliI) 0.0103 0.0152 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0017 0.0232
Toxoplasma gondii vacuolar ATP synthase subunit A, putative 0.006 0.0057 0.1051
Plasmodium vivax ATP synthase alpha chain, putative 0.0222 0.0417 0.7939
Schistosoma mansoni ATP synthase alpha subunit mitochondrial 0.0222 0.0417 0.6562
Leishmania major ATP synthase F1 subunit gamma protein, putative 0.015 0.0256 0.4859
Leishmania major ATP synthase, epsilon chain, putative 0.0188 0.0341 0.6486
Trypanosoma brucei mitochondrial ATP synthase delta chain 0.0188 0.0341 0.6486
Plasmodium falciparum ATP synthase subunit beta, mitochondrial 0.0103 0.0152 0.2867
Plasmodium vivax ATP synthase lipid-binding protein, mitochondrial precursor, putative 0.0271 0.0525 1
Loa Loa (eye worm) ATP synthase subunit beta 0.0068 0.0076 0.2161
Entamoeba histolytica V-type ATPase, A subunit, putative 0.006 0.0057 1
Loa Loa (eye worm) ATP synthase subunit delta 0.0188 0.0341 1
Plasmodium falciparum ATP synthase subunit gamma, mitochondrial 0.015 0.0256 0.4859
Trypanosoma cruzi ATP synthase subunit beta, mitochondrial, putative 0.0103 0.0152 0.2867
Brugia malayi ATP synthase alpha chain, mitochondrial precursor, putative 0.0222 0.0417 0.7939
Leishmania major ATPase subunit 9, putative 0.0271 0.0525 1
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0531 0.1102 0.0868
Plasmodium falciparum V-type proton ATPase subunit B 0.006 0.0057 0.1051
Echinococcus granulosus mitochondrial ATP synthase subunit 9 0.0271 0.0525 1
Giardia lamblia Vacuolar ATP synthase catalytic subunit A 0.006 0.0057 0.5
Trypanosoma brucei ATP synthase F1, alpha subunit 0.0188 0.034 0.6474
Mycobacterium tuberculosis Probable ATP synthase B chain AtpF 0.4502 0.9921 0.9919
Toxoplasma gondii ATP synthase beta subunit ATP-B 0.0103 0.0152 0.2867
Brugia malayi vacuolar ATP synthase subunit B 0.006 0.0057 0.1051
Toxoplasma gondii vacuolar ATP synthase subunit b, putative 0.006 0.0057 0.1051
Mycobacterium leprae PROBABLE ATP SYNTHASE B CHAIN ATPF 0.4502 0.9921 1
Brugia malayi ATP synthase delta chain, mitochondrial precursor, putative 0.0188 0.0341 0.6486
Plasmodium vivax ATP synthase subunit beta, mitochondrial, putative 0.0103 0.0152 0.2867
Giardia lamblia Vacuolar ATP synthase subunit B 0.006 0.0057 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0009 0.013
Toxoplasma gondii ATP synthase F1 gamma subunit 0.015 0.0256 0.4859
Trypanosoma cruzi ATPase subunit 9, putative 0.0271 0.0525 1
Mycobacterium ulcerans F0F1 ATP synthase subunit B 0.4502 0.9921 1
Leishmania major ATPase alpha subunit 0.0188 0.034 0.6474
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit beta 0.0103 0.0152 0.0768
Loa Loa (eye worm) vacuolar H ATPase family member 0.006 0.0057 0.1621
Echinococcus multilocularis ATP synthase subunit beta, mitochondrial 0.0103 0.0152 0.2867
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0009 0.013
Mycobacterium leprae PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN) 0.0271 0.0525 0.0278
Loa Loa (eye worm) vacuolar ATP synthase subunit B 0.006 0.0057 0.1621
Schistosoma mansoni ATP synthase delta chain mitochondrial 0.0188 0.0341 0.5361
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit C 0.0271 0.0525 0.268
Trypanosoma brucei Mitochondrial ATP synthase subunit c-1 0.0271 0.0525 1
Echinococcus multilocularis ATP synthase subunit alpha, mitochondrial 0.0222 0.0417 0.7939
Plasmodium falciparum V-type proton ATPase catalytic subunit A 0.006 0.0057 0.1051
Brugia malayi ATP synthase lipid-binding protein, mitochondrial precursor 0.0271 0.0525 1
Plasmodium vivax vacuolar ATP synthase subunit b, putative 0.006 0.0057 0.1051
Mycobacterium tuberculosis Probable ATP synthase epsilon chain AtpC 0.0188 0.0341 0.0087
Plasmodium falciparum ATP synthase F1, alpha subunit 0.0222 0.0417 0.7939
Trypanosoma brucei ATP synthase subunit beta, mitochondrial 0.0103 0.0152 0.2867
Loa Loa (eye worm) hypothetical protein 0.015 0.0256 0.749
Echinococcus multilocularis vacuolar H+ ATPase v1 sector subunit A 0.006 0.0057 0.1051
Plasmodium falciparum ATP synthase subunit C, putative 0.0271 0.0525 1
Trypanosoma cruzi ATPase subunit 9, putative 0.0271 0.0525 1
Plasmodium vivax ATP synthase subunit gamma, mitochondrial, putative 0.015 0.0256 0.4859
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0531 0.1102 0.5642
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0017 0.0232
Leishmania major ATPase alpha subunit 0.0188 0.034 0.6474
Echinococcus multilocularis ATP synthase gamma subunit 0.015 0.0256 0.4859
Toxoplasma gondii ATP synthase F0 subunit 9, putative 0.0271 0.0525 1
Trichomonas vaginalis ATP synthase alpha subunit mitochondrial, putative 0.006 0.0057 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit gamma 0.015 0.0256 0.1302
Trypanosoma brucei V-type ATPase, A subunit, putative 0.006 0.0057 0.1051
Schistosoma mansoni ATP synthase gamma subunit 0.015 0.0256 0.4016
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0009 0.02
Schistosoma mansoni ATP synthase gamma subunit 0.015 0.0256 0.4016
Mycobacterium tuberculosis Probable ATP synthase beta chain AtpD 0.0237 0.045 0.0199
Echinococcus granulosus 5'partial|ATP synthase subunit delta mitochondrial 0.0188 0.0341 0.6486
Trypanosoma brucei Mitochondrial ATP synthase subunit c-2 0.0271 0.0525 1
Schistosoma mansoni ATP synthase beta subunit 0.0103 0.0152 0.2369
Trichomonas vaginalis ATP synthase beta subunit, putative 0.006 0.0057 1
Mycobacterium leprae PROBABLE ATP SYNTHASE DELTA CHAIN ATPH 0.0948 0.203 0.1835
Schistosoma mansoni ATP synthase subunit beta vacuolar 0.006 0.0057 0.0869
Echinococcus granulosus ATP synthase subunit alpha mitochondrial 0.0222 0.0417 0.7939
Echinococcus granulosus vacuolar H ATPase v1 sector subunit A 0.006 0.0057 0.1051
Mycobacterium ulcerans F0F1 ATP synthase subunit C 0.0271 0.0525 0.0381
Brugia malayi ATP synthase gamma chain, mitochondrial precursor, putative 0.015 0.0256 0.4859
Plasmodium falciparum ATP synthase subunit delta, mitochondrial, putative 0.0188 0.0341 0.6486

Activities

Activity type Activity value Assay description Source Reference
Log M (ADMET) = 0.89 Concentration of the drug in the kidney of rat ChEMBL. 1527790
Log M (ADMET) = 0.92 Concentration of the drug in the liver of rat ChEMBL. 1527790
logD (ADMET) = 2.45 Partition coefficient (logD2.0) ChEMBL. 1527790

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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