Detailed information for compound 303401

Basic information

Technical information
  • TDR Targets ID: 303401
  • Name: 2-carbamoyloxybenzoic acid
  • MW: 181.145 | Formula: C8H7NO4
  • H donors: 2 H acceptors: 3 LogP: 0.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Oc1ccccc1C(=O)O
  • InChi: 1S/C8H7NO4/c9-8(12)13-6-4-2-1-3-5(6)7(10)11/h1-4H,(H2,9,12)(H,10,11)
  • InChiKey: MPWFZAIENRGAOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-aminocarbonyloxybenzoic acid
  • NSC39463

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
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0211 0.0042
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Trichomonas vaginalis phosphofructokinase, putative 0.0121 0.0919 0.5
Toxoplasma gondii PAN/Apple domain-containing protein 0.0076 0.0286 0.013
Toxoplasma gondii PAN domain-containing protein 0.0709 0.9132 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0121 0.0919 0.3331
Brugia malayi phosphofructokinase 0.0121 0.0919 0.3331
Brugia malayi Protein kinase domain containing protein 0.0198 0.1997 0.7238
Toxoplasma gondii PAN domain-containing protein 0.0076 0.0286 0.013
Echinococcus multilocularis microtubule associated protein 2 0.0771 1 1
Onchocerca volvulus 0.0253 0.276 1
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Entamoeba histolytica phosphofructokinase, putative 0.0121 0.0919 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0121 0.0919 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.276 0.2635
Toxoplasma gondii kringle domain-containing protein 0.0198 0.1997 0.2039
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0121 0.0919 0.5
Toxoplasma gondii PAN domain-containing protein 0.0076 0.0286 0.013
Schistosoma mansoni microtubule-associated protein tau 0.0771 1 1
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Leishmania major ATP-dependent phosphofructokinase 0.0121 0.0919 0.41
Loa Loa (eye worm) PAN domain-containing protein 0.0076 0.0286 0.1037
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Schistosoma mansoni hypothetical protein 0.0198 0.1997 0.1859
Mycobacterium ulcerans 6-phosphofructokinase 0.0121 0.0919 1
Toxoplasma gondii microneme protein MIC17C 0.0076 0.0286 0.013
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0076 0.0286 0.013
Brugia malayi Trypsin family protein 0.0253 0.276 1
Echinococcus multilocularis tissue type plasminogen activator 0.0198 0.1997 0.1859
Echinococcus granulosus 6 phosphofructokinase 0.0121 0.0919 0.0762
Echinococcus granulosus tar DNA binding protein 0.0071 0.0211 0.0042
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0198 0.1997 0.5
Echinococcus multilocularis geminin 0.0189 0.1868 0.1728
Toxoplasma gondii hypothetical protein 0.0076 0.0286 0.013
Brugia malayi 6-phosphofructokinase 0.0121 0.0919 0.3331
Trypanosoma cruzi hypothetical protein, conserved 0.0198 0.1997 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0211 0.0042
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0211 0.0764
Leishmania major hypothetical protein, conserved 0.0198 0.1997 1
Onchocerca volvulus 0.0198 0.1997 0.6918
Brugia malayi 6-phosphofructokinase 0.0121 0.0919 0.3331
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Echinococcus granulosus geminin 0.0189 0.1868 0.1728
Entamoeba histolytica phosphofructokinase, putative 0.0121 0.0919 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.276 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0121 0.0919 0.5
Brugia malayi TAR-binding protein 0.0071 0.0211 0.0764
Toxoplasma gondii microneme protein MIC17A 0.0076 0.0286 0.013
Loa Loa (eye worm) TK/ROR protein kinase 0.0198 0.1997 0.7238
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0253 0.276 0.2635
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Toxoplasma gondii microneme protein MIC4 0.0076 0.0286 0.013
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0211 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.1086 0.3936
Loa Loa (eye worm) PAN domain-containing protein 0.0076 0.0286 0.1037
Brugia malayi Kringle domain containing protein 0.0198 0.1997 0.7238
Toxoplasma gondii PAN domain-containing protein 0.0709 0.9132 1
Schistosoma mansoni 6-phosphofructokinase 0.0121 0.0919 0.0762
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Loa Loa (eye worm) PAN domain-containing protein 0.0076 0.0286 0.1037
Echinococcus granulosus tissue type plasminogen activator 0.0198 0.1997 0.1859
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0211 0.0042
Schistosoma mansoni hypothetical protein 0.0189 0.1868 0.1728
Trichomonas vaginalis phosphofructokinase, putative 0.0121 0.0919 0.5
Toxoplasma gondii hypothetical protein 0.0076 0.0286 0.013
Loa Loa (eye worm) phosphofructokinase 0.0121 0.0919 0.3331
Toxoplasma gondii microneme protein, putative 0.0076 0.0286 0.013
Loa Loa (eye worm) 6-phosphofructokinase 0.0121 0.0919 0.3331
Schistosoma mansoni hypothetical protein 0.0189 0.1868 0.1728
Toxoplasma gondii PAN domain-containing protein 0.0076 0.0286 0.013
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0211 0.0042
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Onchocerca volvulus 0.0202 0.2044 0.7108
Trichomonas vaginalis phosphofructokinase, putative 0.0121 0.0919 0.5
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Echinococcus multilocularis 6 phosphofructokinase 0.0121 0.0919 0.0762
Loa Loa (eye worm) PAN domain-containing protein 0.0076 0.0286 0.1037
Toxoplasma gondii PAN domain-containing protein 0.0076 0.0286 0.013
Schistosoma mansoni 6-phosphofructokinase 0.0121 0.0919 0.0762
Brugia malayi RNA binding protein 0.0071 0.0211 0.0764
Brugia malayi PAN domain containing protein 0.0076 0.0286 0.1037
Loa Loa (eye worm) PAN domain-containing protein 0.0076 0.0286 0.1037
Loa Loa (eye worm) hypothetical protein 0.0253 0.276 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.0211 0.0764
Loa Loa (eye worm) hypothetical protein 0.0198 0.1997 0.7238
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0211 0.0042
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0121 0.0919 1
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.1086 0.3936
Brugia malayi MH2 domain containing protein 0.0133 0.1086 0.3936
Entamoeba histolytica phosphofructokinase, putative 0.0121 0.0919 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0286 0.1037
Plasmodium falciparum cysteine repeat modular protein 1 0.0198 0.1997 0.5
Toxoplasma gondii microneme protein MIC17B 0.0076 0.0286 0.013
Trichomonas vaginalis phosphofructokinase, putative 0.0121 0.0919 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0211 0.0764
Toxoplasma gondii subtilisin SUB12 0.0076 0.0286 0.013
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0211 0.0764

Activities

Activity type Activity value Assay description Source Reference
Modification of hemoglobin (functional) 0 % Effect of compound on modification of oxy form of hemoglobin was expressed as percent modification at 10 mM concentration; ND means no data ChEMBL. 3572982
Modification of hemoglobin (functional) = 58 % Effect of compound on modification of deoxy form of hemoglobin was expressed as percent modification at 5 mM concentration ChEMBL. 3572982
Modification of hemoglobin (functional) = 62 % Effect of compound on modification of oxy form of hemoglobin was expressed as percent modification at 5 mM concentration ChEMBL. 3572982
Modification of hemoglobin (functional) = 94 % Effect of compound on modification of oxy form of hemoglobin was expressed as percent modification at 10 mM concentration ChEMBL. 3572982
P50 (functional) = 6 mmHg Effect of compound on oxygen affinity, was expressed as P50 (mmHg) at 10 mM concentration in the absence of Inositol hexa phosphate (IHP) ChEMBL. 3572982
P50 (functional) = 6 mmHg Effect of compound on oxygen affinity, was expressed as P50 (mmHg) at 5 mM concentration in the absence of Inositol hexa phosphate (IHP) ChEMBL. 3572982
P50 (functional) = 22 mmHg Effect of compound on oxygen affinity, was expressed as P50 (mmHg) at 10 mM concentration in the presence of 2 mM Inositol hexa phosphate (IHP) ChEMBL. 3572982
P50 (functional) = 33 mmHg Effect of compound on oxygen affinity, was expressed as P50 (mmHg) at 5 mM concentration in the presence of Inositol hexa phosphate (IHP) ChEMBL. 3572982

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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