Detailed information for compound 1510801

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 297.693 | Formula: C16H8ClNO3
  • H donors: 0 H acceptors: 2 LogP: 3.39 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(=O)oc2c(c1/C=C/c1ccco1)cc(cc2)Cl
  • InChi: 1S/C16H8ClNO3/c17-10-3-6-15-13(8-10)12(14(9-18)16(19)21-15)5-4-11-2-1-7-20-11/h1-8H/b5-4+
  • InChiKey: OLNCXINDFLUKOE-SNAWJCMRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 hypothetical protein 0.025 0.833 0.833
Echinococcus granulosus lamin dm0 0.003 0.0495 0.0444
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Schistosoma mansoni aminopeptidase A (M01 family) 0.0105 0.3146 0.311
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1398 0.1398
Trypanosoma brucei aminopeptidase, putative 0.0105 0.3146 0.2961
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.3923 0.3923
Schistosoma mansoni hypothetical protein 0.0051 0.1245 0.1199
Loa Loa (eye worm) TATA binding protein associated factor 0.0105 0.3146 0.3146
Loa Loa (eye worm) hypothetical protein 0.025 0.833 0.833
Echinococcus multilocularis geminin 0.0179 0.5807 0.5785
Echinococcus granulosus lamin 0.003 0.0495 0.0444
Echinococcus granulosus leukotriene A 4 hydrolase 0.0105 0.3146 0.311
Schistosoma mansoni lamin 0.003 0.0495 0.0444
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0105 0.3146 0.3146
Toxoplasma gondii aminopeptidase N protein 0.0105 0.3146 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0259 0.8629 0.8629
Loa Loa (eye worm) hypothetical protein 0.0123 0.3793 0.3793
Onchocerca volvulus 0.0051 0.1245 0.0789
Brugia malayi TATA binding protein associated factor 0.0105 0.3146 0.3146
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1245 0.1245
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0105 0.3146 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0262 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Schistosoma mansoni lamin 0.003 0.0495 0.0444
Brugia malayi hypothetical protein 0.0105 0.3146 0.3146
Brugia malayi follicle stimulating hormone receptor 0.0257 0.8577 0.8577
Loa Loa (eye worm) hypothetical protein 0.0193 0.6284 0.6284
Toxoplasma gondii aminopeptidase N, putative 0.0105 0.3146 1
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0105 0.3146 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0105 0.3146 0.311
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0105 0.3146 0.311
Echinococcus granulosus survival motor neuron protein 1 0.025 0.833 0.8321
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.3923 0.3923
Loa Loa (eye worm) hypothetical protein 0.003 0.0495 0.0495
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0105 0.3146 0.3146
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0105 0.3146 0.311
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0105 0.3146 0.2961
Onchocerca volvulus 0.0105 0.3146 0.2789
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0052 0.0052
Onchocerca volvulus 0.0083 0.2391 0.1995
Brugia malayi MH2 domain containing protein 0.0126 0.3923 0.3923
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1398 0.1398
Echinococcus granulosus geminin 0.0179 0.5807 0.5785
Loa Loa (eye worm) hypothetical protein 0.0055 0.1398 0.1398
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.2391 0.2351
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.2391 0.2391
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.2391 0.2351
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0193 0.6284 0.6264
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0105 0.3146 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.2391 0.2351
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.579 0.3858
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0262 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.5807 0.5785
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0262 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.0495 0.0495
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.3146 0.311
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0262 0.5
Schistosoma mansoni intermediate filament proteins 0.003 0.0495 0.0444
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0105 0.3146 0.311
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8
Loa Loa (eye worm) hypothetical protein 0.0083 0.2391 0.2391
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0775 0.0775
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0259 0.8629 0.8629
Echinococcus multilocularis lamin 0.003 0.0495 0.0444
Onchocerca volvulus Huntingtin homolog 0.0123 0.3793 0.3471
Mycobacterium ulcerans aminopeptidase N PepN 0.0105 0.3146 0.2961
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.579 0.3858
Brugia malayi hypothetical protein 0.0123 0.3793 0.3793
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0262 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.833 0.8321
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.5465 0.523
Schistosoma mansoni hypothetical protein 0.0179 0.5807 0.5785
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.5465 0.3384
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0193 0.6284 0.4578
Brugia malayi Peptidase family M1 containing protein 0.0105 0.3146 0.3146
Loa Loa (eye worm) hypothetical protein 0.0193 0.6284 0.6284
Loa Loa (eye worm) hypothetical protein 0.0029 0.0475 0.0475
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1398 0.1398
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0105 0.3146 0.2961
Schistosoma mansoni survival motor neuron protein 0.0051 0.1245 0.1199
Toxoplasma gondii aminopeptidase n, putative 0.0105 0.3146 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.3793 0.3793
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0105 0.3146 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0052 0.0052
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0193 0.6284 0.6264
Echinococcus granulosus intermediate filament protein 0.003 0.0495 0.0444
Loa Loa (eye worm) hypothetical protein 0.0105 0.3146 0.3146
Echinococcus multilocularis musashi 0.003 0.0495 0.0444
Onchocerca volvulus Huntingtin homolog 0.0123 0.3793 0.3471
Loa Loa (eye worm) hypothetical protein 0.0018 0.0052 0.0052
Echinococcus multilocularis lamin dm0 0.003 0.0495 0.0444
Loa Loa (eye worm) hypothetical protein 0.0193 0.6284 0.6284
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0257 0.8577 0.8577
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0038 0.0775 0.0775
Loa Loa (eye worm) peptidase family M1 containing protein 0.0105 0.3146 0.3146
Loa Loa (eye worm) hypothetical protein 0.0105 0.3146 0.3146
Schistosoma mansoni hypothetical protein 0.0038 0.0775 0.0727
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0495 0.0495
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8
Brugia malayi intermediate filament protein 0.003 0.0495 0.0495
Trichomonas vaginalis glucosylceramidase, putative 0.0259 0.8629 0.8

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL6 production at 10 uM after 24 hrs by ELISA ChEMBL. 21396814
Inhibition (functional) = 9 % Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced TNFalpha production at 10 uM after 24 hrs by ELISA ChEMBL. 21396814
Inhibition (functional) = 63 % Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 at 6.25 ug/ml by microplate alamar blue assay ChEMBL. 21396814

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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