Detailed information for compound 687747

Basic information

Technical information
  • TDR Targets ID: 687747
  • Name: 2-[[5-(2-chlorophenyl)-4-pyrrol-1-yl-1,2,4-tr iazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphe nyl)acetamide
  • MW: 453.945 | Formula: C22H20ClN5O2S
  • H donors: 1 H acceptors: 3 LogP: 4.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CSc1nnc(n1n1cccc1)c1ccccc1Cl)C
  • InChi: 1S/C22H20ClN5O2S/c1-15-9-10-19(30-2)18(13-15)24-20(29)14-31-22-26-25-21(16-7-3-4-8-17(16)23)28(22)27-11-5-6-12-27/h3-13H,14H2,1-2H3,(H,24,29)
  • InChiKey: WZXUGZLTTRTPGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(2-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-[[5-(2-chlorophenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)acetamide
  • 2-[[5-(2-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-[[5-(2-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

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
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0187 0.1754 0.568
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.1205 0.1037
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0102 0.0693 0.0662
Schistosoma mansoni hypothetical protein 0.005 0.0051 0.0221
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0102 0.0693 0.2177
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0233 0.2325 0.9415
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.0693 0.2177
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3063 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0233 0.2325 1
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.2469 1
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.2469 1
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0049 0.0034 0.0137
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0187 0.1754 0.7545
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0049 0.0034 0.0137
Toxoplasma gondii hypothetical protein 0.0139 0.1152 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0093 0.059 0.041
Onchocerca volvulus 0.005 0.0051 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0187 0.1754 0.7104
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0233 0.2325 0.7565
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0187 0.1754 0.568
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0853 1 1
Schistosoma mansoni hypothetical protein 0.0176 0.1609 0.6918
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0049 0.0034 0.0137
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0187 0.1754 0.7104
Schistosoma mansoni hypothetical protein 0.0176 0.1609 0.6918
Treponema pallidum hypothetical protein 0.0853 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0093 0.059 0.239
Giardia lamblia Rab geranylgeranyltransferase 0.0187 0.1754 0.568
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0139 0.1152 0.3692
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0233 0.2325 0.9415
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0853 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0102 0.0693 0.2177
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.3063 0.2627
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0093 0.059 0.5
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0853 1 1
Schistosoma mansoni survival motor neuron protein 0.005 0.0051 0.0221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1754 0.7104
Brugia malayi glucose-6-phosphate dehydrogenase 0.0093 0.059 0.239
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0051 0.0208
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0049 0.0034 0.0137
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0187 0.1754 0.568
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0233 0.2325 0.7565
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.3063 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0187 0.1754 0.1726
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0049 0.0034 0.0146
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0102 0.0693 0.5897
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0049 0.0034 0.0137
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0233 0.2325 0.9415
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.059 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0853 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0187 0.1754 0.568
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0093 0.059 0.239
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0102 0.0693 0.0662
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0187 0.1754 0.7104
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0187 0.1754 0.7104
Brugia malayi hypothetical protein 0.0245 0.2469 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0233 0.2325 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0049 0.0034 0.0137
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2387 0.1343
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0093 0.059 0.239
Echinococcus multilocularis geminin 0.0176 0.1609 0.6514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0233 0.2325 0.9415
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0061 0.0188 0.1381
Loa Loa (eye worm) hypothetical protein 0.0245 0.2469 1
Echinococcus granulosus geminin 0.0176 0.1609 0.6514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3063 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0093 0.059 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0093 0.059 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0093 0.059 0.2538
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0187 0.1754 0.1726
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0102 0.0693 0.2177
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3063 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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