Detailed information for compound 1481460

Basic information

Technical information
  • TDR Targets ID: 1481460
  • Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl ] 2-(4-chlorophenyl)acetate
  • MW: 337.841 | Formula: C18H24ClNO3
  • H donors: 1 H acceptors: 2 LogP: 4.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1C(C)CCCC1NC(=O)COC(=O)Cc1ccc(cc1)Cl
  • InChi: 1S/C18H24ClNO3/c1-12-4-3-5-16(13(12)2)20-17(21)11-23-18(22)10-14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,21)
  • InChiKey: QAAZZVJTXRRZBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)acetate
  • 2-(4-chlorophenyl)acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester
  • 2-(4-chlorophenyl)acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester
  • [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)ethanoate
  • T5399824

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
Echinococcus multilocularis tumor protein p63 0.0408 0.5087 0.5087
Echinococcus granulosus expressed conserved protein 0.009 0.0965 0.1138
Schistosoma mansoni hypothetical protein 0.0039 0.0313 0.0369
Loa Loa (eye worm) hypothetical protein 0.0041 0.0333 0.0389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0429 0.0501
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0429 0.0501
Schistosoma mansoni hypothetical protein 0.0033 0.023 0.0271
Brugia malayi TAR-binding protein 0.0062 0.0598 0.0699
Entamoeba histolytica hypothetical protein 0.0039 0.0313 0.2268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0377 0.0444
Brugia malayi Muscleblind-like protein 0.0145 0.168 0.1963
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.084 0.7878
Schistosoma mansoni hypothetical protein 0.0047 0.0408 0.0481
Loa Loa (eye worm) hypothetical protein 0.0023 0.01 0.0117
Echinococcus granulosus geminin 0.0165 0.1933 0.2279
Schistosoma mansoni hypothetical protein 0.004 0.0314 0.037
Loa Loa (eye worm) hypothetical protein 0.0024 0.0119 0.0139
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0029
Brugia malayi transcription elongation factor B polypeptide 1, putative 0.0039 0.0313 0.0366
Loa Loa (eye worm) hypothetical protein 0.0145 0.168 0.1963
Echinococcus multilocularis transcription elongation factor b polypeptide 1 0.0039 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0182 0.2164 0.2529
Brugia malayi RNA binding protein 0.0062 0.0598 0.0699
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0598 0.0706
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2776 0.3273
Echinococcus granulosus tumor protein p63 0.0408 0.5087 0.5998
Toxoplasma gondii hypothetical protein 0.0037 0.0281 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0598 0.0699
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.01 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.01 1
Brugia malayi hypothetical protein 0.0676 0.8559 1
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.1571 0.1853
Brugia malayi AMP-binding enzyme family protein 0.0023 0.01 0.0117
Brugia malayi hypothetical protein 0.023 0.2776 0.3243
Echinococcus granulosus muscleblind protein 0.0145 0.168 0.1981
Echinococcus multilocularis microtubule associated protein 2 0.067 0.848 0.848
Loa Loa (eye worm) hypothetical protein 0.0048 0.0429 0.0501
Brugia malayi hypothetical protein 0.0016 0.0006 0.0007
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0024 0.139
Echinococcus granulosus transcription elongation factor b polypeptide 1 0.0039 0.0313 0.0369
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0429 0.0501
Onchocerca volvulus 0.0326 0.4021 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0377 0.0444
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0377 0.0377
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0598 0.0699
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.01 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.0598 0.0706
Schistosoma mansoni hypothetical protein 0.0165 0.1933 0.2279
Brugia malayi hypothetical protein 0.0182 0.2164 0.2529
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0119 1
Brugia malayi CHE-14 protein 0.0041 0.0333 0.0389
Loa Loa (eye worm) hypothetical protein 0.023 0.2776 0.3243
Echinococcus multilocularis protein dispatched 1 0.0047 0.0408 0.0408
Brugia malayi AMP-binding enzyme family protein 0.0023 0.01 0.0117
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0119 1
Onchocerca volvulus 0.006 0.0575 0.1212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.01 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0575 0.0672
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.01 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0575 0.0678
Schistosoma mansoni hypothetical protein 0.004 0.0314 0.037
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0281 1
Echinococcus multilocularis protein patched 0.0041 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0033 0.023 0.0269
Brugia malayi hypothetical protein 0.0024 0.0119 0.0139
Echinococcus granulosus microtubule associated protein 2 0.067 0.848 1
Onchocerca volvulus Transcription elongation factor B polypeptide 1 homolog 0.0039 0.0313 0.0544
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0333 1
Schistosoma mansoni hypothetical protein 0.0039 0.0313 0.0369
Onchocerca volvulus 0.0047 0.0408 0.0786
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.01 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0029
Mycobacterium ulcerans hypothetical protein 0.0023 0.01 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0377 0.044
Schistosoma mansoni hypothetical protein 0.004 0.0314 0.037
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0333 0.0333
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0598 0.0706
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0377 0.044
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0029
Leishmania major hypothetical protein, conserved 0.0024 0.0119 1
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2776 0.2776
Schistosoma mansoni microtubule-associated protein tau 0.067 0.848 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.008 0.084 0.7878
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.104 0.1226
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.104 0.104
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0029
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.01 1
Echinococcus multilocularis expressed conserved protein 0.009 0.0965 0.0965
Schistosoma mansoni hypothetical protein 0.004 0.0314 0.037
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0598 0.0706
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0281 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0598 0.0706
Schistosoma mansoni patched 1 0.0041 0.0333 0.0393
Echinococcus multilocularis muscleblind protein 1 0.0145 0.168 0.168
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0119 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0408 0.0477
Loa Loa (eye worm) hypothetical protein 0.0096 0.104 0.1215
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.01 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0598 0.0706
Schistosoma mansoni survival motor neuron protein 0.0047 0.0408 0.0481
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.008 0.084 0.0982
Brugia malayi AMP-binding enzyme family protein 0.0023 0.01 0.0117
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0333 0.0393
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0333 0.0393
Loa Loa (eye worm) ELC-1 protein 0.0039 0.0313 0.0366
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.01 0.0117
Loa Loa (eye worm) RNA binding protein 0.0062 0.0598 0.0699
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.01 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0333 0.0389
Echinococcus multilocularis geminin 0.0165 0.1933 0.1933
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.104 0.1215
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0281 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.1571 0.1571
Loa Loa (eye worm) hypothetical protein 0.0676 0.8559 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.104 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.168 0.1963
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0377 0.0444
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1059 0.1249
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.01 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0377 0.0377
Schistosoma mansoni elongin B 0.0182 0.2165 0.2552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0377 0.0444
Echinococcus multilocularis muscleblind protein 0.0145 0.168 0.168
Loa Loa (eye worm) hypothetical protein 0.0023 0.01 0.0117
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0029
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0598 0.0699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0377 0.0444
Loa Loa (eye worm) hypothetical protein 0.005 0.0453 0.0529
Echinococcus multilocularis elongin b 0.0182 0.2165 0.2165
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0024 0.5
Echinococcus granulosus elongin b 0.0182 0.2165 0.2552
Schistosoma mansoni hypothetical protein 0.0165 0.1933 0.2279
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.023 0.0269

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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