Detailed information for compound 579674

Basic information

Technical information
  • TDR Targets ID: 579674
  • Name: [1-(2-hydroxy-1-methyl-ethyl)-2,5-dimethyl-py rrol-3-yl]-phenyl-methanone
  • MW: 257.328 | Formula: C16H19NO2
  • H donors: 1 H acceptors: 2 LogP: 2.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(n1c(C)cc(c1C)C(=O)c1ccccc1)C
  • InChi: 1S/C16H19NO2/c1-11-9-15(13(3)17(11)12(2)10-18)16(19)14-7-5-4-6-8-14/h4-9,12,18H,10H2,1-3H3
  • InChiKey: SQHXEPLSVOTCES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-(2-hydroxy-1-methylethyl)-2,5-dimethyl-3-pyrrolyl]-phenylmethanone
  • [1-(1-hydroxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-phenyl-methanone
  • [1-(1-hydroxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-phenylmethanone
  • 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)propanol
  • 72686-25-0
  • Methanone, (1-(2-hydroxy-1-methylethyl)-2,5-dimethyl-1H-pyrrol-3-yl)phenyl-
  • Tei 2117
  • Tei-2117

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
Loa Loa (eye worm) oxidoreductase 0.0014 0.0086 0.0017
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0086 0.0339
Loa Loa (eye worm) hypothetical protein 0.0049 0.1689 0.1632
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0525 0.0444
Schistosoma mansoni hypothetical protein 0.0035 0.1072 0.1752
Loa Loa (eye worm) hypothetical protein 0.0035 0.1038 0.0975
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5077 0.8867
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0014 0.0086 0.0498
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.1568 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1568 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0086 0.0017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1072 0.0994
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.6725 0.6697
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1079 0.6815
Onchocerca volvulus 0.0093 0.3666 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0086 0.0546
Loa Loa (eye worm) RNA binding protein 0.0124 0.5077 0.5042
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.5077 0.5042
Loa Loa (eye worm) hypothetical protein 0.0086 0.3346 0.3299
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1079 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0952 0.6071
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0086 0.0017
Loa Loa (eye worm) hypothetical protein 0.0046 0.1568 0.1509
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0952 0.6071
Entamoeba histolytica hypothetical protein 0.0035 0.1072 0.6765
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0153
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0069 0.034
Echinococcus granulosus survival motor neuron protein 1 0.0232 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1079 1
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1079 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0086 0.0546
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0069 0.034
Mycobacterium ulcerans hypothetical protein 0.0046 0.1568 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0069 0.034
Brugia malayi RNA binding protein 0.0124 0.5077 0.5042
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0086 0.0498
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0069 0.0231
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1079 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.1568 1
Trypanosoma brucei glucosidase, putative 0.0036 0.1079 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.1568 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0172 0.0104
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0086 0.0498
Echinococcus granulosus GPCR family 2 0.0015 0.0172 0.0087
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0172 0.0104
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0172 0.0087
Schistosoma mansoni eyes absent homolog 0.0086 0.3346 0.5791
Schistosoma mansoni hypothetical protein 0.0033 0.0987 0.1601
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1568 0.1509
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1689 0.1632
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0172 0.0087
Echinococcus multilocularis tar DNA binding protein 0.0124 0.5077 0.5034
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.6725 0.6697
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5077 0.8867
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1617 0.1559
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.1079 1
Onchocerca volvulus 0.0014 0.0086 0.0046
Echinococcus multilocularis GPCR, family 2 0.0015 0.0172 0.0087
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0086 0.0546
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1079 1
Onchocerca volvulus 0.0046 0.1568 0.4168
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1079 1
Echinococcus granulosus bloom syndrome protein 0.0023 0.0525 0.0444
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0086 0.0498
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0525 0.4702
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0086 0.0017
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0525 0.4702
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0069 0.0231
Schistosoma mansoni survival motor neuron protein 0.0047 0.1617 0.2721
Entamoeba histolytica hypothetical protein 0.0035 0.1072 0.6765
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.1079 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.3346 0.3299
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0069 0.034
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0069 0.034
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.1038 0.6617
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0153
Echinococcus multilocularis survival motor neuron protein 1 0.0232 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0397 0.3272
Schistosoma mansoni hypothetical protein 0.0047 0.1617 0.2721
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5077 0.8867
Loa Loa (eye worm) hypothetical protein 0.0015 0.0172 0.0104
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0175 0.0899
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0952 0.6071
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1568 0.1509
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0525 0.0459
Onchocerca volvulus 0.0014 0.0086 0.0046
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0069 0.034
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1568 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1689 0.1632
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0172 0.0104
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0086 0.0546
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0987 0.0924
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0183 0.1027
Brugia malayi TAR-binding protein 0.0124 0.5077 0.5042
Leishmania major acetyl-CoA synthetase, putative 0.0014 0.0086 0.0339
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5077 0.8867
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1079 1
Brugia malayi hypothetical protein 0.0035 0.1072 0.1009
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0086 0.0546
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0086 0.0498
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1079 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1568 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Echinococcus granulosus tar DNA binding protein 0.0124 0.5077 0.5034
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.1038 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0069 0.034
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.1568 1
Loa Loa (eye worm) hypothetical protein 0.0232 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0086 0.0546
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0086 0.0339
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1568 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1038 0.0975
Loa Loa (eye worm) hypothetical protein 0.0046 0.1568 0.1509
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.6725 0.6697
Loa Loa (eye worm) TAR-binding protein 0.0124 0.5077 0.5042
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1079 0.6815
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1568 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1568 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.5715 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.1079 0.1002
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0069 0.034
Loa Loa (eye worm) hypothetical protein 0.0033 0.0987 0.0924
Schistosoma mansoni alpha glucosidase 0.0036 0.1079 0.1766
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0172 0.0087
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.5077 0.5042
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0086 0.0546
Onchocerca volvulus 0.0014 0.0086 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0124 0.5077 0.8867
Loa Loa (eye worm) hypothetical protein 0.0046 0.1568 0.1509
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0086 0.0546
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0303 0.0387
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.1568 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0014 0.0086 0.0339
Loa Loa (eye worm) hypothetical protein 0.0117 0.4785 0.4748
Brugia malayi hypothetical protein 0.0086 0.3346 0.3299
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0069 0.034
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0086 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1689 0.1632
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0014 0.0086 0.0498
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0086 0.0546
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0153
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.6725 0.6702
Entamoeba histolytica hypothetical protein 0.0035 0.1072 0.6765
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.1568 1
Entamoeba histolytica hypothetical protein 0.0035 0.1072 0.6765
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.6725 0.6702
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.1568 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.5715 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.1079 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.1568 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.1079 0.1002
Loa Loa (eye worm) hypothetical protein 0.0035 0.1038 0.0975
Loa Loa (eye worm) hypothetical protein 0.0035 0.1038 0.0975
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.1079 0.1017
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.1568 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1072 0.0994
Loa Loa (eye worm) hypothetical protein 0.0035 0.1038 0.0975
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.1038 0.6421
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0086 0.0546
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0069 0.034
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1568 0.1509
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.1568 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.1079 0.6815
Onchocerca volvulus 0.0014 0.0086 0.0046
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.1568 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0172 0.0087
Onchocerca volvulus 0.0047 0.1617 0.4305
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1072 0.1752
Loa Loa (eye worm) hypothetical protein 0.0014 0.0086 0.0017
Loa Loa (eye worm) RecQ helicase 0.0023 0.0525 0.0459
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0086 0.0498
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.1038 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1079 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0952 0.6071
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0069 0.034
Schistosoma mansoni hypothetical protein 0.0015 0.0172 0.0153
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.1038 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.1079 0.1017
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0086 0.0546
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0014 0.0086 0.0498

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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