Detailed information for compound 881521

Basic information

Technical information
  • TDR Targets ID: 881521
  • Name: 2-[2-[(4-chlorophenyl)amino]-2-oxoethyl]sulfa nyl-N-(phenylmethyl)acetamide
  • MW: 348.847 | Formula: C17H17ClN2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.25 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccccc1)CSCC(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C17H17ClN2O2S/c18-14-6-8-15(9-7-14)20-17(22)12-23-11-16(21)19-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
  • InChiKey: ACFXKSCZKXSTQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]sulfanyl-N-(phenylmethyl)acetamide
  • 2-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[[2-[(4-chlorophenyl)amino]-2-keto-ethyl]thio]acetamide
  • 2-[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]sulfanyl-N-(phenylmethyl)ethanamide
  • ZINC02887355

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
Onchocerca volvulus 0.0305 0.165 1
Schistosoma mansoni integrin alpha-ps 0.0455 0.2645 0.4155
Echinococcus granulosus integrin beta 2 0.0222 0.1096 0.2282
Echinococcus granulosus integrin alpha 3 0.0779 0.4786 1
Loa Loa (eye worm) dihydrofolate reductase 0.0147 0.06 0.0595
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0768 0.4718 0.4715
Echinococcus granulosus integrin alpha ps 0.0218 0.1074 0.2235
Schistosoma mansoni hypothetical protein 0.0218 0.1074 0.1682
Echinococcus multilocularis nmda type glutamate receptor 0.0095 0.0255 0.0521
Brugia malayi Integrin alpha pat-2 precursor 0.1016 0.6356 1
Loa Loa (eye worm) integrin beta-2 0.0299 0.161 0.1605
Schistosoma mansoni integrin beta subunit 0.0176 0.0795 0.1243
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0768 0.4718 0.7419
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0056 0 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0147 0.06 1
Schistosoma mansoni integrin alpha 0.1016 0.6356 1
Echinococcus multilocularis integrin alpha ps 0.0455 0.2645 0.552
Brugia malayi Dihydrofolate reductase 0.0147 0.06 0.0937
Echinococcus multilocularis integrin alpha ps 0.0455 0.2645 0.552
Chlamydia trachomatis dihydrofolate reductase 0.0147 0.06 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0056 0 0.5
Echinococcus multilocularis dihydrofolate reductase 0.0147 0.06 0.1244
Brugia malayi Integrin beta pat-3 precursor 0.0299 0.161 0.2526
Loa Loa (eye worm) hypothetical protein 0.056 0.334 0.3336
Echinococcus multilocularis integrin alpha ps 0.0218 0.1074 0.2235
Brugia malayi dihydrofolate reductase family protein 0.0147 0.06 0.0937
Echinococcus granulosus dihydrofolate reductase 0.0147 0.06 0.1244
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0068 0.0079 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.1074 0.1069
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0305 0.165 0.1645
Onchocerca volvulus 0.0278 0.1467 0.8883
Loa Loa (eye worm) hypothetical protein 0.0419 0.2402 0.2397
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0305 0.165 0.259
Echinococcus multilocularis integrin beta 2 0.0222 0.1096 0.2282
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0056 0 0.5
Schistosoma mansoni dihydrofolate reductase 0.0147 0.06 0.0937
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0068 0.0079 0.5
Schistosoma mansoni integrin alpha-ps 0.0237 0.1199 0.1879
Loa Loa (eye worm) hypothetical protein 0.0237 0.1199 0.1194
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0318 0.1737 0.2726
Echinococcus multilocularis integrin alpha 3 0.0779 0.4786 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0095 0.0255 0.0521
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0147 0.06 1
Echinococcus granulosus integrin alpha ps 0.0455 0.2645 0.552
Brugia malayi Trypsin family protein 0.0305 0.165 0.259
Loa Loa (eye worm) hypothetical protein 0.0798 0.4911 0.4908
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0056 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0305 0.165 0.1645
Echinococcus granulosus nmda type glutamate receptor 0.0095 0.0255 0.0521
Loa Loa (eye worm) TK/ALK protein kinase 0.0478 0.2793 0.2789
Brugia malayi Protein kinase domain containing protein 0.0478 0.2794 0.4391
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0147 0.06 0.5

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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