Detailed information for compound 166673

Basic information

Technical information
  • TDR Targets ID: 166673
  • Name: 3-(2-chlorophenyl)-4-nitro-1H-pyrrole
  • MW: 222.628 | Formula: C10H7ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.79 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1c[nH]cc1[N+](=O)[O-]
  • InChi: 1S/C10H7ClN2O2/c11-9-4-2-1-3-7(9)8-5-12-6-10(8)13(14)15/h1-6,12H
  • InChiKey: WWRJQRZVKPRYFF-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(2-Chlorophenyl)-4-nitropyrrole
  • AIDS-070104
  • AIDS070104
  • Pyrrolnitrin der.

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 brg-1 associated factor 0.0081 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0081 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0081 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0029 0.2659 1
Brugia malayi brahma associated protein 60 kDa 0.0081 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0029 0.2659 1
Chlamydia trachomatis DNA topoisomerase I 0.0081 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0563 0.0563
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.2659 1
Schistosoma mansoni hypothetical protein 0.0081 1 1
Leishmania major hypothetical protein, conserved 0.0029 0.2659 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0029 0.2659 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.2659 0.2659
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0029 0.2659 0.2221
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0081 1 1
Plasmodium vivax hypothetical protein, conserved 0.0081 1 0.5
Brugia malayi YY1-associated factor 2 0.0029 0.2659 0.2221
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.2659 1
Loa Loa (eye worm) brahma associated protein 0.0081 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0081 1 1
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0563 0.0563
Echinococcus multilocularis SWI:SNF matrix associated 0.0081 1 1
Chlamydia trachomatis SWIB complex protein 0.0081 1 0.5
Leishmania major hypothetical protein, conserved 0.0029 0.2659 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0014 0.0563 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0029 0.2659 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0029 0.2659 1
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.2659 1
Leishmania major hypothetical protein, conserved 0.0029 0.2659 1
Leishmania major hypothetical protein, conserved 0.0029 0.2659 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0029 0.2659 1
Onchocerca volvulus 0.0081 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0081 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0081 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0029 0.2659 0.2221
Trypanosoma cruzi WLM domain containing protein, putative 0.0029 0.2659 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.2659 0.2659
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0029 0.2659 0.2221
Schistosoma mansoni hypothetical protein 0.0081 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.2659 1
Leishmania major hypothetical protein, conserved 0.0029 0.2659 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0029 0.2659 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0081 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0081 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0081 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.2659 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0563 0.0563
Trichomonas vaginalis conserved hypothetical protein 0.0081 1 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0081 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0029 0.2659 0.2221
Loa Loa (eye worm) hypothetical protein 0.0029 0.2659 0.2659
Schistosoma mansoni hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.2659 0.2659
Loa Loa (eye worm) hypothetical protein 0.0029 0.2659 0.2659
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0081 1 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0029 0.2659 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 16 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis CIP 103471 ChEMBL. 9873650
MIC (functional) > 16 ug ml-1 Antimycobacterial activity against Mycobacterium avium CIP 103317 ChEMBL. 9873650
MIC (functional) > 16 ug ml-1 Antibacterial activity against Mycobacterium smegmatis CIP 103599. ChEMBL. 9873650
MIC (functional) > 16 ug ml-1 Antimycobacterial activity against Mycobacterium gordonae CIP 6427 ChEMBL. 9873650
MIC (functional) > 16 ug ml-1 Antimycobacterial activity against Mycobacterium marinum CIP 6423 ChEMBL. 9873650
MIC (functional) > 16 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis CIP 103471 ChEMBL. 9873650
MTD50 (functional) 0 ug ml-1 Compound was tested for cytotoxicity against VERO cells; Not determined ChEMBL. 9873650

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

1 literature reference was collected for this gene.

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