Detailed information for compound 659217

Basic information

Technical information
  • TDR Targets ID: 659217
  • Name: 2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
  • MW: 277.317 | Formula: C18H15NO2
  • H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccccc1n1c(C)ccc1c1ccccc1
  • InChi: 1S/C18H15NO2/c1-13-11-12-16(14-7-3-2-4-8-14)19(13)17-10-6-5-9-15(17)18(20)21/h2-12H,1H3,(H,20,21)
  • InChiKey: HDBAHTOZGLYRSE-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid
  • 2-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid
  • 26180-27-8
  • CBMicro_001521
  • Oprea1_469505
  • BIM-0001342.P001
  • EU-0004584
  • Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
  • o-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acid
  • AM-879/13414613
  • STOCK2S-27168

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
Echinococcus multilocularis endothelin converting enzyme 1 0.0092 0.353 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0638 0.0577
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.2366 0.6702
Schistosoma mansoni neprilysin 0.0024 0.0481 0.023
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0638 0.0638
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2366 0.6702
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Loa Loa (eye worm) hypothetical protein 0.0066 0.2366 0.2366
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.1486 0.345
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0638 0.0638
Echinococcus granulosus acetylcholinesterase 0.0066 0.2366 0.6702
Echinococcus multilocularis lamin dm0 0.0027 0.0638 0.1808
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 1 1
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2366 0.6702
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1497 0.4242
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0638 0.0638
Loa Loa (eye worm) hypothetical protein 0.0045 0.1448 0.1448
Loa Loa (eye worm) hypothetical protein 0.0068 0.2453 0.2453
Echinococcus granulosus carboxylesterase 5A 0.0066 0.2366 0.6702
Schistosoma mansoni neprilysin-2 (M13 family) 0.0046 0.1486 0.345
Loa Loa (eye worm) hypothetical protein 0.0068 0.2453 0.2453
Brugia malayi peptidase family M13 containing protein 0.0022 0.0409 0.0346
Echinococcus granulosus lamin 0.0027 0.0638 0.1808
Schistosoma mansoni lamin 0.0027 0.0638 0.0734
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1497 0.3486
Echinococcus granulosus endothelin converting enzyme 1 0.0092 0.353 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.2453 0.2453
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.1486 0.345
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Loa Loa (eye worm) hypothetical protein 0.0027 0.0616 0.0616
Brugia malayi Peptidase family M13 containing protein 0.0092 0.353 0.3487
Echinococcus granulosus intermediate filament protein 0.0027 0.0638 0.1808
Echinococcus multilocularis musashi 0.0027 0.0638 0.1808
Echinococcus granulosus lamin dm0 0.0027 0.0638 0.1808
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1497 0.1497
Toxoplasma gondii peptidase family M13 protein 0.0092 0.353 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.2366 0.627
Onchocerca volvulus 0.0045 0.1448 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0024 0.0481 0.023
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.1486 0.345
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0046 0.1486 0.345
Loa Loa (eye worm) hypothetical protein 0.0068 0.2453 0.2453
Mycobacterium leprae probable zinc metalloprotease 0.0092 0.353 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1497 0.1441
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0092 0.353 0.3487
Brugia malayi Carboxylesterase family protein 0.0066 0.2366 0.2315
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0066 0.0066
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.2453 0.2453
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1497 0.4242
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1497 0.4242
Loa Loa (eye worm) zinc metallopeptidase 4 0.0022 0.0409 0.0409
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023
Schistosoma mansoni intermediate filament proteins 0.0027 0.0638 0.0734
Echinococcus granulosus acetylcholinesterase 0.0066 0.2366 0.6702
Mycobacterium ulcerans zinc metalloprotease 0.0092 0.353 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0066 0.2366 0.2366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1497 0.3486
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023
Loa Loa (eye worm) hypothetical protein 0.0092 0.353 0.353
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.2366 0.2366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1497 0.3486
Loa Loa (eye worm) carboxylesterase 0.0066 0.2366 0.2366
Echinococcus multilocularis lamin 0.0027 0.0638 0.1808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1497 0.4242
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0092 0.353 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Loa Loa (eye worm) hypothetical protein 0.0069 0.2525 0.2525
Brugia malayi Carboxylesterase family protein 0.0066 0.2366 0.2315
Loa Loa (eye worm) hypothetical protein 0.0092 0.353 0.353
Schistosoma mansoni lamin 0.0027 0.0638 0.0734
Loa Loa (eye worm) hypothetical protein 0.0092 0.353 0.353
Brugia malayi intermediate filament protein 0.0027 0.0638 0.0577
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0092 0.353 1
Schistosoma mansoni hypothetical protein 0.0024 0.0481 0.023

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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