Detailed information for compound 1458799

Basic information

Technical information
  • TDR Targets ID: 1458799
  • Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl acetamide
  • MW: 263.335 | Formula: C14H21N3O2
  • H donors: 2 H acceptors: 2 LogP: 0.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)CC(=O)Nc1ccccc1
  • InChi: 1S/C14H21N3O2/c18-11-10-16-6-8-17(9-7-16)12-14(19)15-13-4-2-1-3-5-13/h1-5,18H,6-12H2,(H,15,19)
  • InChiKey: BTDZQJFSHBGZPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-acetamide
  • 2-[4-(2-hydroxyethyl)-1-piperazinyl]-N-phenylacetamide
  • 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-ethanamide
  • STK206699
  • AE-641/00357054

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
Schistosoma mansoni hypothetical protein 0.0618 0.5332 0.5233
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0044 0.0209 0.0882
Mycobacterium ulcerans hypothetical protein 0.0044 0.0209 0.0842
Mycobacterium tuberculosis Conserved protein 0.0044 0.0209 0.0882
Entamoeba histolytica malate dehydrogenase, putative 0.0286 0.2367 0.449
Mycobacterium tuberculosis Probable lipase LipE 0.0044 0.0209 0.0882
Echinococcus granulosus Niemann Pick C1 protein 0.012 0.0886 0.0691
Echinococcus multilocularis malate dehydrogenase 0.0278 0.2299 0.2135
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0075 0.0276
Leishmania major malate dehydrogenase 0.0278 0.2299 0.2241
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0286 0.2367 1
Echinococcus granulosus malate dehydrogenase 0.0278 0.2299 0.2135
Echinococcus granulosus cytosolic malate dehydrogenase 0.0286 0.2367 0.2204
Plasmodium falciparum malate dehydrogenase 0.0601 0.5179 0.9712
Brugia malayi CHE-14 protein 0.0051 0.0276 0.0203
Brugia malayi lactate dehydrogenase. 0.0601 0.5179 0.5142
Echinococcus granulosus carbonic anhydrase II 0.1141 1 1
Echinococcus multilocularis carbonic anhydrase 0.0618 0.5332 0.5233
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0258 0.212 0.1952
Schistosoma mansoni patched 1 0.0051 0.0276 0.0069
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Loa Loa (eye worm) hypothetical protein 0.012 0.0886 0.0876
Mycobacterium tuberculosis Probable esterase LipL 0.0044 0.0209 0.0882
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1141 1 1
Echinococcus multilocularis carbonic anhydrase 0.0618 0.5332 0.5233
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0618 0.5332 0.5297
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0286 0.2367 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0276 0.0266
Schistosoma mansoni L-lactate dehydrogenase 0.0601 0.5179 0.5076
Echinococcus multilocularis lactate dehydrogenase a 0.0601 0.5179 0.5076
Loa Loa (eye worm) beta-lactamase 0.0044 0.0209 0.0198
Echinococcus multilocularis Niemann Pick C1 protein 0.0171 0.1344 0.1159
Leishmania major carbonic anhydrase-like protein 0.1141 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0286 0.2367 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0075 0.0276
Onchocerca volvulus 0.0044 0.0209 1
Onchocerca volvulus 0.0044 0.0209 1
Echinococcus multilocularis malate dehydrogenase 0.0278 0.2299 0.2135
Echinococcus granulosus carbonic anhydrase 0.0618 0.5332 0.5233
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Loa Loa (eye worm) malate dehydrogenase 0.0286 0.2367 0.2359
Mycobacterium tuberculosis Conserved protein 0.0044 0.0209 0.0882
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0075 0.0276
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0065
Onchocerca volvulus 0.0044 0.0209 1
Leishmania major mitochondrial malate dehydrogenase 0.0278 0.2299 0.2241
Trichomonas vaginalis malate dehydrogenase, putative 0.0126 0.094 0.3388
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0056 0.0314 0.0304
Schistosoma mansoni malate dehydrogenase 0.0278 0.2299 0.2135
Echinococcus multilocularis expressed conserved protein 0.0112 0.0821 0.0625
Trypanosoma brucei malate dehydrogenase-related 0.0258 0.212 0.1952
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0314 0.0108
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0618 0.5332 0.5297
Echinococcus granulosus lactate dehydrogenase a 0.0601 0.5179 0.5076
Leishmania major glycosomal malate dehydrogenase 0.0278 0.2299 0.2241
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Echinococcus granulosus carbonic anhydrase 0.0618 0.5332 0.5233
Echinococcus granulosus malate dehydrogenase 0.0278 0.2299 0.2135
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0258 0.212 0.4083
Leishmania major hypothetical protein, conserved 0.0044 0.0209 0.0134
Mycobacterium ulcerans lipase LipD 0.0044 0.0209 0.0842
Plasmodium vivax malate dehydrogenase, putative 0.0601 0.5179 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0601 0.5179 0.5076
Mycobacterium ulcerans hypothetical protein 0.0029 0.0075 0.0276
Leishmania major malate dehydrogenase, putative 0.0601 0.5179 0.5142
Echinococcus granulosus Niemann Pick C1 protein 0.0171 0.1344 0.1159
Toxoplasma gondii hypothetical protein 0.0618 0.5332 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0276 0.0314
Brugia malayi beta-lactamase family protein 0.0044 0.0209 0.0134
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Plasmodium vivax lactate dehydrogenase 0.0601 0.5179 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0286 0.2367 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1141 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0075 0.0276
Trichomonas vaginalis malate dehydrogenase, putative 0.0153 0.1186 0.4529
Chlamydia trachomatis malate dehydrogenase 0.0286 0.2367 1
Leishmania major malate dehydrogenase, putative 0.0258 0.212 0.2061
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0065
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0075 0.0276
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0278 0.2299 0.2135
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Echinococcus multilocularis lactate dehydrogenase a 0.0601 0.5179 0.5076
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0286 0.2367 0.2204
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0618 0.5332 0.5297
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.012 0.0886 0.1588
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0286 0.2367 0.2309
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1141 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0601 0.5179 0.5076
Brugia malayi Niemann-Pick C1 protein precursor 0.012 0.0886 0.0816
Loa Loa (eye worm) hypothetical protein 0.0601 0.5179 0.5174
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0985 0.8609 0.858
Schistosoma mansoni malate dehydrogenase 0.0601 0.5179 0.5076
Leishmania major cytosolic malate dehydrogenase 0.0286 0.2367 0.2309
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0286 0.2367 0.2204
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0044 0.0209 0.0882
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0314 0.0108
Plasmodium falciparum L-lactate dehydrogenase 0.0601 0.5179 0.9712
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0276 0.0069
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0278 0.2299 0.2135
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0618 0.5332 0.5297
Mycobacterium ulcerans beta-lactamase 0.0044 0.0209 0.0842
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0276 0.0069
Toxoplasma gondii lactate dehydrogenase LDH1 0.0601 0.5179 0.97
Mycobacterium ulcerans esterase/lipase LipP 0.0044 0.0209 0.0842
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0902 0.0708
Schistosoma mansoni malate dehydrogenase 0.0286 0.2367 0.2204
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0075 0.0276
Mycobacterium leprae Probable lipase LipE 0.0044 0.0209 0.0582
Plasmodium vivax hypothetical protein, conserved 0.0044 0.0209 0.0384
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0286 0.2367 0.2204
Echinococcus multilocularis lactate dehydrogenase a 0.0601 0.5179 0.5076
Schistosoma mansoni malate dehydrogenase 0.0286 0.2367 0.2204
Schistosoma mansoni carbonic anhydrase-related 0.0618 0.5332 0.5233
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1141 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0601 0.5179 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.026 0.0052
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Echinococcus multilocularis carbonic anhydrase 0.0618 0.5332 0.5233
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0276 0.0069
Loa Loa (eye worm) malate dehydrogenase 0.0278 0.2299 0.2291
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0065
Echinococcus granulosus L lactate dehydrogenase B chain 0.0601 0.5179 0.5076
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0044 0.0209 0.0842
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0314 0.0108
Loa Loa (eye worm) hypothetical protein 0.0044 0.0209 0.0198
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0618 0.5332 0.5297
Giardia lamblia Malate dehydrogenase 0.0286 0.2367 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.026 0.0052
Schistosoma mansoni hypothetical protein 0.0049 0.026 0.0052
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0279 0.2312 0.977
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0286 0.2367 0.449
Mycobacterium ulcerans malate dehydrogenase 0.0286 0.2367 1
Schistosoma mansoni carbonic anhydrase-related 0.0618 0.5332 0.5233
Loa Loa (eye worm) hypothetical protein 0.0051 0.0276 0.0266
Trichomonas vaginalis malate dehydrogenase, putative 0.0286 0.2367 1
Toxoplasma gondii malate dehydrogenase MDH 0.0601 0.5179 0.97
Loa Loa (eye worm) hypothetical protein 0.0618 0.5332 0.5327
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0286 0.2367 0.2204
Echinococcus granulosus carbonic anhydrase 0.0618 0.5332 0.5233
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0044 0.0209 0.0882
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0044 0.0209 0.0134
Schistosoma mansoni L-lactate dehydrogenase 0.0258 0.212 0.1952
Brugia malayi beta-lactamase family protein 0.0044 0.0209 0.0134
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0286 0.2367 1
Mycobacterium tuberculosis Probable hydrolase 0.0044 0.0209 0.0882
Schistosoma mansoni carbonic anhydrase-related 0.0618 0.5332 0.5233
Echinococcus granulosus lactate dehydrogenase a 0.0601 0.5179 0.5076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0056 0.0314 0.0108
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0286 0.2367 1
Mycobacterium leprae conserved hypothetical protein 0.0044 0.0209 0.0582
Mycobacterium tuberculosis Conserved protein 0.0044 0.0209 0.0882
Toxoplasma gondii lactate dehydrogenase LDH2 0.0601 0.5179 0.97
Echinococcus multilocularis carbonic anhydrase II 0.1141 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0618 0.5332 0.5327
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0278 0.2299 0.2241
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0075 0.0319
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0056 0.0314 0.0108
Brugia malayi beta-lactamase 0.0044 0.0209 0.0134
Loa Loa (eye worm) hypothetical protein 0.0618 0.5332 0.5327
Trypanosoma brucei glycosomal malate dehydrogenase 0.0278 0.2299 0.2135
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0075 0.0319
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0278 0.2299 0.2135
Echinococcus granulosus cytosolic malate dehydrogenase 0.0286 0.2367 0.2204
Trypanosoma cruzi malate dehydrogenase, putative 0.0278 0.2299 0.2135
Loa Loa (eye worm) hypothetical protein 0.0618 0.5332 0.5327
Loa Loa (eye worm) hypothetical protein 0.0063 0.038 0.0369
Echinococcus granulosus L lactate dehydrogenase 0.0343 0.2877 0.2725
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0022 0.001 0.0044
Schistosoma mansoni hypothetical protein 0.0049 0.026 0.0052
Plasmodium falciparum lactate dehydrogenase, putative 0.0258 0.212 0.3965
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0314 0.0108
Echinococcus multilocularis L lactate dehydrogenase 0.0343 0.2877 0.2725
Echinococcus multilocularis protein patched 0.0051 0.0276 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0056 0.0314 0.0108
Schistosoma mansoni carbonic anhydrase 0.0618 0.5332 0.5233
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0278 0.2299 0.2135
Trichomonas vaginalis malate dehydrogenase, putative 0.0258 0.212 0.8859
Plasmodium falciparum carbonic anhydrase 0.0618 0.5332 1
Loa Loa (eye worm) carbonic anhydrase 3 0.1141 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1141 1 1
Echinococcus granulosus lactate dehydrogenase protein 0.0601 0.5179 0.5076
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0056 0.0314 0.0241
Echinococcus multilocularis protein dispatched 1 0.0059 0.0341 0.0135
Echinococcus multilocularis Niemann Pick C1 protein 0.012 0.0886 0.0691
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1141 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0075 0.0276
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0044 0.0209 0.0198
Echinococcus granulosus expressed conserved protein 0.0112 0.0821 0.0625
Trypanosoma brucei cytosolic malate dehydrogenase 0.0286 0.2367 0.2204
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1141 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0044 0.0209 0.0882
Entamoeba histolytica malate dehydrogenase, putative 0.0601 0.5179 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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