Detailed information for compound 881800

Basic information

Technical information
  • TDR Targets ID: 881800
  • Name: N-prop-2-ynyl-2-pyrrol-1-ylbenzamide
  • MW: 224.258 | Formula: C14H12N2O
  • H donors: 1 H acceptors: 1 LogP: 1.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCNC(=O)c1ccccc1n1cccc1
  • InChi: 1S/C14H12N2O/c1-2-9-15-14(17)12-7-3-4-8-13(12)16-10-5-6-11-16/h1,3-8,10-11H,9H2,(H,15,17)
  • InChiKey: SLJMNIXWRTZRCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-prop-2-ynyl-2-pyrrol-1-yl-benzamide
  • N-prop-2-ynyl-2-(1-pyrrolyl)benzamide
  • N-propargyl-2-pyrrol-1-yl-benzamide

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
Brugia malayi translation initiation factor 4E 0.0402 0.2522 1
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0068 0.0229 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0104 0.0065
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.1452 0.5403
Echinococcus granulosus p2X purinoceptor 4 0.0272 0.1628 0.6328
Schistosoma mansoni P2X receptor subunit 0.0135 0.0686 0.0588
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0402 0.2522 1
Brugia malayi Telomerase reverse transcriptase 0.0223 0.1293 0.4951
Giardia lamblia Guanine phosphoribosyltransferase 0.0089 0.0373 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0089 0.0373 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0402 0.2522 1
Echinococcus granulosus ras gtpase 0.0145 0.0757 0.2746
Loa Loa (eye worm) hypothetical protein 0.0246 0.1452 0.5601
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 0.1167
Trypanosoma brucei RNA helicase, putative 0.036 0.2232 0.8809
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0402 0.2522 1
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.0379 0.1192
Echinococcus multilocularis p2X purinoceptor 4 0.0272 0.1628 0.6162
Echinococcus granulosus p2X purinoceptor 4 0.0272 0.1628 0.6328
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0194 0.0432
Leishmania major eukaryotic translation initiation factor-like 0.0402 0.2522 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 0.0271
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0068 0.0229 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Toxoplasma gondii RNA-directed DNA polymerase 0.0084 0.0336 0.1015
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Schistosoma mansoni P2X receptor subunit 0.0272 0.1628 0.154
Echinococcus multilocularis expressed protein 0.0389 0.2431 0.9608
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.0379 0.0794
Schistosoma mansoni cell polarity protein 0.0145 0.0757 0.0659
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0089 0.0373 0.1167
Onchocerca volvulus 0.005 0.0104 0.0086
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0194 0.0432
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0402 0.2522 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0402 0.2522 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0084 0.0336 0.1015
Echinococcus granulosus expressed protein 0.0389 0.2431 0.9625
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0194 0.009
Onchocerca volvulus 0.009 0.0379 0.1579
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0089 0.0373 0.1167
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Echinococcus multilocularis p2X purinoceptor 4 0.0272 0.1628 0.6162
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Brugia malayi GTP-binding protein, identical 0.0145 0.0757 0.2746
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 0.1167
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0315 0.1926 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0194 0.009
Brugia malayi hypothetical protein 0.0246 0.1452 0.5601
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0402 0.2522 1
Leishmania major xanthine phosphoribosyltransferase 0.0089 0.0373 0.1167
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0402 0.2522 0.2443
Echinococcus multilocularis ras gtpase 0.0145 0.0757 0.2418
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.0379 0.0277
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0089 0.0373 0.0768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0194 0.8463
Plasmodium falciparum telomerase reverse transcriptase 0.0084 0.0336 0.87
Schistosoma mansoni cell polarity protein 0.0145 0.0757 0.0659
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.1452 0.5601
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.0379 0.1192
Echinococcus multilocularis p2X purinoceptor 4 0.0272 0.1628 0.6162
Plasmodium vivax telomerase reverse transcriptase, putative 0.0084 0.0336 0.87
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0194 0.0432
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0402 0.2522 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0089 0.0373 0.1167
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0089 0.0373 0.0768
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.0373 0.1167
Giardia lamblia Telomerase catalytic subunit 0.0084 0.0336 0.87
Onchocerca volvulus 0.0089 0.0373 0.1546
Brugia malayi GTP-binding protein 0.0145 0.0757 0.2746
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0089 0.0373 0.1167
Echinococcus granulosus p2X purinoceptor 4 0.0272 0.1628 0.6328
Schistosoma mansoni P2X receptor subunit 0.0272 0.1628 0.154
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0084 0.0336 0.1015
Loa Loa (eye worm) hypothetical protein 0.009 0.0379 0.1192
Trypanosoma brucei telomerase reverse transcriptase 0.0084 0.0336 0.1015
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0402 0.2522 1
Loa Loa (eye worm) translation initiation factor 4E 0.0402 0.2522 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 0.0271
Leishmania major telomerase reverse transcriptase, putative 0.0084 0.0336 0.1015
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0402 0.2522 1
Schistosoma mansoni hypothetical protein 0.036 0.2232 0.215
Loa Loa (eye worm) GTP-binding protein 0.0145 0.0757 0.2746
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.0373 0.1167
Schistosoma mansoni P2X receptor subunit 0.0135 0.0686 0.0588

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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