Detailed information for compound 1495684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.738 | Formula: C16H13ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)N(C(=O)c1ccc2c(c1)OCO2)C
  • InChi: 1S/C16H13ClN2O4/c1-19(16(21)18-12-4-2-3-11(17)8-12)15(20)10-5-6-13-14(7-10)23-9-22-13/h2-8H,9H2,1H3,(H,18,21)
  • InChiKey: IZAUMBYPBQPFPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 Starlite/ChEMBL References

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 Ets-domain containing protein 0.0074 0.0159 0.1053
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0511 0.263 0.5
Brugia malayi Ets-domain containing protein 0.0074 0.0159 0.1053
Schistosoma mansoni chromobox protein 0.0081 0.0202 0.0176
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0202 1
Trichomonas vaginalis chromobox protein, putative 0.0049 0.002 0.0969
Schistosoma mansoni cytochrome b 0.0312 0.1506 0.5452
Loa Loa (eye worm) hypothetical protein 0.0063 0.0098 0.0652
Echinococcus granulosus cytochrome B 0.0511 0.263 1
Toxoplasma gondii cytochrome b 0.0511 0.263 1
Loa Loa (eye worm) fli-1 protein 0.0224 0.1006 0.6682
Trichomonas vaginalis chromobox protein, putative 0.0049 0.002 0.0969
Brugia malayi Heterochromatin protein 1 0.0081 0.0202 0.1342
Plasmodium vivax cytochrome b 0.0511 0.263 0.5
Brugia malayi Fli-1 protein 0.0224 0.1006 0.6682
Echinococcus multilocularis chromobox protein 1 0.0081 0.0202 1
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.1815 1 0.5
Echinococcus multilocularis chromobox protein 1 0.0081 0.0202 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.002 0.002
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.0202 0.1342
Plasmodium falciparum cytochrome b 0.0511 0.263 0.5
Toxoplasma gondii apocytochrome b, putative 0.0511 0.263 1
Echinococcus granulosus chromobox protein 1 0.0081 0.0202 0.0176
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.1815 1 0.5
Schistosoma mansoni ets-related 0.0224 0.1006 0.343
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.0159 0.1053
Schistosoma mansoni cytochrome b 0.0511 0.263 1
Trichomonas vaginalis chromobox protein, putative 0.0081 0.0202 1
Echinococcus granulosus chromobox protein 1 0.0081 0.0202 0.0176
Schistosoma mansoni chromobox protein 0.0081 0.0202 0.0176
Onchocerca volvulus 0.1815 1 1
Brugia malayi cytochrome b 0.0312 0.1506 1
Loa Loa (eye worm) cytochrome b 0.0312 0.1506 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis ChEMBL. 21341682

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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