Detailed information for compound 567437

Basic information

Technical information
  • TDR Targets ID: 567437
  • Name: (2-chlorophenyl)methyl N-(2-pyrrolidin-1-ylet hyl)carbamate
  • MW: 282.766 | Formula: C14H19ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 2.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OCc1ccccc1Cl)NCCN1CCCC1
  • InChi: 1S/C14H19ClN2O2/c15-13-6-2-1-5-12(13)11-19-14(18)16-7-10-17-8-3-4-9-17/h1-2,5-6H,3-4,7-11H2,(H,16,18)
  • InChiKey: XTMHJHOZJPZQCC-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(1-pyrrolidinyl)ethyl]carbamic acid (2-chlorophenyl)methyl ester
  • N-(2-pyrrolidinoethyl)carbamic acid (2-chlorobenzyl) ester
  • N-(2-1-pyrrolidinylethyl)carbamic acid (2-chlorophenyl)methyl ester
  • N-(2-pyrrolidin-1-ylethyl)carbamic acid (2-chlorobenzyl) ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Curated by TDR Targets References
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 159 aa 140 aa 37.9 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 165 aa 143 aa 34.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis muscleblind protein 0.0149 0.2489 0.2489
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.2771 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.2771 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.2726 0.0316
Loa Loa (eye worm) hypothetical protein 0.0157 0.2726 0.0316
Schistosoma mansoni sodium/chloride dependent transporter 0.0157 0.2726 0.2726
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.2771 1
Schistosoma mansoni dihydrofolate reductase 0.0415 1 1
Echinococcus multilocularis muscleblind protein 1 0.0149 0.2489 0.2489
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.2771 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0415 1 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0415 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0157 0.2726 0.0316
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.2771 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0157 0.2726 0.2726
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.2771 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0157 0.2726 0.0316
Echinococcus granulosus sodium and chloride dependent glycine 0.0157 0.2726 0.2726
Brugia malayi Dihydrofolate reductase 0.0415 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0157 0.2726 0.2726
Echinococcus granulosus dihydrofolate reductase 0.0415 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0157 0.2726 0.2726
Echinococcus multilocularis sodium and chloride dependent glycine 0.0157 0.2726 0.2726
Loa Loa (eye worm) dihydrofolate reductase 0.0415 1 1
Chlamydia trachomatis dihydrofolate reductase 0.0415 1 0.5
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0415 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0415 1 1
Echinococcus granulosus muscleblind protein 0.0149 0.2489 0.2489

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:

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

13 literature references were collected for this gene.

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