Detailed information for compound 587362

Basic information

Technical information
  • TDR Targets ID: 587362
  • Name: 6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
  • MW: 184.189 | Formula: C9H12O4
  • H donors: 1 H acceptors: 3 LogP: 0.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CC=CCC1C(=O)O
  • InChi: 1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)
  • InChiKey: MYYLMIDEMAPSGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methoxycarbonyl-1-cyclohex-3-enecarboxylic acid
  • 6-carbomethoxycyclohex-3-ene-1-carboxylic acid
  • 6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid
  • 31139-03-4
  • 88335-93-7
  • STK021891
  • NSC292899
  • 6-Mcca

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
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0998 0.1898
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0998 0.0846
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.0135 0.6456 0.7741
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0165 0.0363
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Brugia malayi Troponin T 0.0065 0.2993 0.2875
Echinococcus granulosus GPCR family 2 0.0016 0.061 0.0547
Loa Loa (eye worm) hypothetical protein 0.0018 0.07 0.0543
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0998 0.1898
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0065 0.2993 0.4495
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.07 0.6421
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0165 0.0546
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0998 0.2192
Echinococcus granulosus oncosphere protein Tso22e 0.0135 0.6456 0.7741
Loa Loa (eye worm) troponin I 0.0109 0.517 0.5088
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.4552 0.6973
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.2317 0.2188
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0165 0.0363
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0165 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0998 1
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0165 0.0363
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0998 1
Schistosoma mansoni troponin t invertebrate 0.0135 0.6456 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0173 0.8293 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.4552 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0998 0.2192
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.061 0.0547
Schistosoma mansoni hypothetical protein 0.0016 0.061 0.0706
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.4552 0.446
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0998 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0165 0.0363
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0998 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0998 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.4552 0.446
Loa Loa (eye worm) hypothetical protein 0.0024 0.0998 0.0846
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0135 0.6456 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.07 0.0543
Schistosoma mansoni hypothetical protein 0.0035 0.1527 0.2164
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1527 0.1384
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0165 0.0546
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.2162 0.4552
Loa Loa (eye worm) hypothetical protein 0.0016 0.061 0.0452
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0165 0.0363
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0165 0.5
Loa Loa (eye worm) hypothetical protein 0.0208 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0998 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1527 0.1384
Trypanosoma brucei polo-like protein kinase 0.0097 0.4552 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0998 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.2162 0.4552
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0165 0.0363
Onchocerca volvulus Troponin I homolog 0.0109 0.517 0.7954
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0998 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0165 0.0363
Brugia malayi hypothetical protein 0.0065 0.2993 0.2875
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0165 0.0546
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.061 0.0452
Brugia malayi Troponin T 0.0065 0.2993 0.2875
Echinococcus multilocularis GPCR, family 2 0.0016 0.061 0.0547
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.4552 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0652 0.6071
Loa Loa (eye worm) hypothetical protein 0.0109 0.517 0.5088
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0165 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.07 0.0543
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.4552 0.6973
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0165 0.0546
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.07 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0165 0.0363
Brugia malayi Latrophilin receptor protein 2 0.0016 0.061 0.0452
Loa Loa (eye worm) troponin T 0.0065 0.2993 0.2875
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.07 0.6617
Brugia malayi Troponin I 0.0109 0.517 0.5088
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0165 0.2362
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.4552 0.5397
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0652 0.6071
Echinococcus multilocularis troponin i 0.0109 0.517 0.6157
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.07 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0652 0.6071
Echinococcus granulosus troponin i 0.0109 0.517 0.6157
Onchocerca volvulus 0.0024 0.0998 0.1323
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0998 0.0846
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0165 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0165 0.0546
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0165 0.0363
Schistosoma mansoni troponin I 0.0109 0.517 0.7954
Schistosoma mansoni troponin I 0.0109 0.517 0.7954
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0165 0.0546
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0998 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.061 0.0452
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0165 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0998 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.517 0.5088
Schistosoma mansoni troponin I 0.0109 0.517 0.7954
Loa Loa (eye worm) troponin 0.0065 0.2993 0.2875
Giardia lamblia Kinase, PLK 0.0097 0.4552 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.4552 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.4552 1
Schistosoma mansoni kinase 0.0049 0.2225 0.3273
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.07 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Schistosoma mansoni hypothetical protein 0.0109 0.517 0.7954
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.061 0.0547
Schistosoma mansoni troponin I 0.0109 0.517 0.7954
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0998 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.2317 0.2188
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0165 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0652 0.6071
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0998 0.2192
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0998 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0173 0.8293 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0998 0.0846
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0998 0.1898
Loa Loa (eye worm) hypothetical protein 0.0018 0.07 0.0543
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0998 0.0846
Loa Loa (eye worm) hypothetical protein 0.0065 0.2993 0.2875
Brugia malayi Troponin family protein 0.0109 0.517 0.5088
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.4552 0.5397
Brugia malayi Troponin T 0.0065 0.2993 0.2875
Schistosoma mansoni hypothetical protein 0.0016 0.061 0.0706
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0998 1
Schistosoma mansoni hypothetical protein 0.0016 0.061 0.0706
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0165 0.0546
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0165 0.0546
Loa Loa (eye worm) hypothetical protein 0.0018 0.07 0.0543
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4552 1
Schistosoma mansoni hypothetical protein 0.0016 0.061 0.0706

Activities

No activities found for this compound.

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

No literature references available for this target.

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