Detailed information for compound 880228

Basic information

Technical information
  • TDR Targets ID: 880228
  • Name: [2-[(4-chlorophenyl)amino]-2-oxoethyl] 2-chlo robenzoate
  • MW: 324.159 | Formula: C15H11Cl2NO3
  • H donors: 1 H acceptors: 2 LogP: 3.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)COC(=O)c1ccccc1Cl
  • InChi: 1S/C15H11Cl2NO3/c16-10-5-7-11(8-6-10)18-14(19)9-21-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2,(H,18,19)
  • InChiKey: DEDBSCOHCDYMQJ-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[(4-chlorophenyl)amino]-2-oxo-ethyl] 2-chlorobenzoate
  • 2-chlorobenzoic acid [2-[(4-chlorophenyl)amino]-2-oxoethyl] ester
  • 2-chlorobenzoic acid [2-[(4-chlorophenyl)amino]-2-keto-ethyl] ester
  • Oprea1_063439
  • ZINC00131819

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
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0322 0.6302 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Loa Loa (eye worm) norepinephrine transporter 0.0477 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0477 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.051
Schistosoma mansoni biogenic amine (5HT) receptor 0.041 0.8399 0.8313
Echinococcus granulosus synaptic vesicular amine transporter 0.0183 0.2971 0.2593
Schistosoma mansoni sphingoid long chain base kinase 0.0152 0.2211 0.1792
Brugia malayi hypothetical protein 0.0081 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0152 0.2211 0.2211
Toxoplasma gondii hypothetical protein 0.0081 0.051 0.5
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.2305 0.2305
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0305 0.5879 0.5657
Echinococcus multilocularis sphingosine kinase 1 0.0152 0.2211 0.1792
Echinococcus multilocularis synaptic vesicular amine transporter 0.0183 0.2971 0.2593
Brugia malayi SWIRM domain containing protein 0.0167 0.2579 0.2579
Plasmodium falciparum amino acid transporter, putative 0.0081 0.051 0.5
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0183 0.2971 0.2971
Loa Loa (eye worm) hypothetical protein 0.0156 0.2305 0.2305
Loa Loa (eye worm) hypothetical protein 0.041 0.8399 0.8399
Loa Loa (eye worm) serotonin transporter b 0.0477 1 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0156 0.2305 0.1891
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Entamoeba histolytica hypothetical protein, conserved 0.0152 0.2211 0.5
Schistosoma mansoni vesicular amine transporter 0.0183 0.2971 0.2593
Loa Loa (eye worm) hypothetical protein 0.0305 0.5879 0.5879
Echinococcus multilocularis serotonin transporter 0.0477 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0156 0.2305 0.1891
Onchocerca volvulus 0.0167 0.2579 0.218
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0156 0.2305 0.1891
Plasmodium vivax amine transporter, putative 0.0081 0.051 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0081 0.051 0.051
Schistosoma mansoni sphingosine kinase A B 0.0152 0.2211 0.1792
Echinococcus granulosus biogenic amine 5HT receptor 0.041 0.8399 0.8313
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.041 0.8399 0.8399
Echinococcus multilocularis serotonin receptor 0.041 0.8399 0.8313
Echinococcus granulosus serotonin transporter 0.0477 1 1
Echinococcus granulosus sphingosine kinase 1 0.0152 0.2211 0.1792
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0322 0.6302 1
Brugia malayi Abnormal catecholamine distribution protein 1 0.0183 0.2971 0.2971
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Treponema pallidum sodium- and chloride- dependent transporter 0.0477 1 0.5
Plasmodium falciparum transporter, putative 0.0081 0.051 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0274 0.5146 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0305 0.5879 0.5879
Loa Loa (eye worm) hypothetical protein 0.0167 0.2579 0.2579
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.051
Onchocerca volvulus 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.5879 0.5879
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0477 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Plasmodium vivax hypothetical protein, conserved 0.0081 0.051 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0081 0.051 0.5
Toxoplasma gondii hypothetical protein 0.0081 0.051 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.051
Echinococcus multilocularis serotonin receptor 0.041 0.8399 0.8313
Loa Loa (eye worm) hypothetical protein 0.0477 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.051 0.051
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0081 0.051 0.051

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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