Detailed information for compound 1810389

Basic information

Technical information
  • TDR Targets ID: 1810389
  • Name: (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]h exanoyl]-N-(4-phenyl-1,3-thiazol-2-yl)pyrroli dine-2-carboxamide
  • MW: 444.547 | Formula: C22H28N4O4S
  • H donors: 3 H acceptors: 5 LogP: 2.88 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1scc(n1)c1ccccc1)CC(=O)NO
  • InChi: 1S/C22H28N4O4S/c1-2-3-8-16(13-19(27)25-30)21(29)26-12-7-11-18(26)20(28)24-22-23-17(14-31-22)15-9-5-4-6-10-15/h4-6,9-10,14,16,18,30H,2-3,7-8,11-13H2,1H3,(H,25,27)(H,23,24,28)/t16-,18+/m1/s1
  • InChiKey: WUEARQASTPQUBQ-AEFFLSMTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]hexanoyl]-N-(4-phenylthiazol-2-yl)pyrrolidine-2-carboxamide
  • (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-1-oxohexyl]-N-(4-phenyl-2-thiazolyl)-2-pyrrolidinecarboxamide
  • (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-keto-ethyl]hexanoyl]-N-(4-phenylthiazol-2-yl)pyrrolidine-2-carboxamide
  • (2S)-1-[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]hexanoyl]-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

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 tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0024 0.0024
Mycobacterium ulcerans hypothetical protein 0.0053 0.0446 0.0423
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0271 0.0271
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0053 0.0446 0.0446
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0446 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.004 0.0295 0.0295
Schistosoma mansoni acetyl-CoA synthetase 0.0016 0.0024 0.5
Onchocerca volvulus 0.0053 0.0446 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0024 0.0024
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0446 0.0423
Loa Loa (eye worm) hypothetical protein 0.0053 0.0446 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0024 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.6421
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0446 1
Toxoplasma gondii propionate-CoA ligase 0.0016 0.0024 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0446 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0446 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0024 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0053 0.0446 0.0423
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.004 0.0295 0.5
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0024 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0446 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0053 0.0446 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0271 0.0271
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0016 0.0024 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.004 0.0295 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0053 0.0446 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0446 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0053 0.0446 0.0423
Plasmodium falciparum acyl-CoA synthetase 0.004 0.0295 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0024 0.0024
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0016 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.6421
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.6421
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0016 0.0024 0.5
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0024 0.0024
Entamoeba histolytica acyl-CoA synthetase, putative 0.0053 0.0446 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0446 0.0423
Mycobacterium ulcerans fatty-acid-CoA ligase 0.004 0.0295 0.0271
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.6421
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0024 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0446 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0446 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0024 0.5
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0016 0.0024 0.5
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0024 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0024 0.0024
Entamoeba histolytica acyl-coA synthetase, putative 0.0053 0.0446 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0024 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0053 0.0446 0.0423
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0053 0.0446 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0024 0.0024
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0446 0.0423
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0024 0.0024
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0271 0.0271
Trichomonas vaginalis antibiotic synthetase, putative 0.0016 0.0024 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0053 0.0446 0.0423
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0024 0.0024
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0053 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.004 0.0295 0.6421
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0016 0.0024 0.5
Mycobacterium ulcerans haloalkane dehalogenase 0.0904 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0271 0.0271

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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