Detailed information for compound 104736

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.125 | Formula: C12H10Cl2N2O3
  • H donors: 3 H acceptors: 3 LogP: 2.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)N
  • InChi: 1S/C12H10Cl2N2O3/c13-5-3-7(14)10-6(1-2-9(17)18)11(12(15)19)16-8(10)4-5/h3-4,16H,1-2H2,(H2,15,19)(H,17,18)
  • InChiKey: XSJZVPAWNLJWHO-UHFFFAOYSA-N  

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
Onchocerca volvulus 0.011 1 0.5
Onchocerca volvulus 0.011 1 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.011 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.011 1 1
Echinococcus multilocularis serotonin receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis g-protein coupled receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Brugia malayi G-protein coupled receptor 0.011 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.011 1 1
Brugia malayi follicle stimulating hormone receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Brugia malayi larval opioid receptor 0.011 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.011 1 1
Brugia malayi RE15519p 0.011 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.011 1 1
Echinococcus granulosus g protein coupled receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Brugia malayi Serotonin receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus orexin receptor type 2 0.011 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.011 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.011 1 1
Echinococcus granulosus sex peptide receptor 0.011 1 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.011 1 1
Echinococcus granulosus g protein coupled receptor 0.011 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.011 1 1
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0098 0.7866 0.5
Brugia malayi AKH receptor 0.011 1 1
Schistosoma mansoni biogenic amine receptor 0.011 1 1
Echinococcus multilocularis allatostatin A receptor 0.011 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.011 1 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.011 1 1
Echinococcus granulosus neuropeptides capa receptor 0.011 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.011 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.011 1 1
Loa Loa (eye worm) TYRA-2 protein 0.011 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.011 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.011 1 1
Schistosoma mansoni neuropeptide receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis serotonin receptor 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.011 1 1
Schistosoma mansoni opsin-like receptor 0.011 1 1
Schistosoma mansoni biogenic amine receptor 0.011 1 1
Echinococcus granulosus g-protein coupled receptor 0.011 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.011 1 1
Schistosoma mansoni neuropeptide receptor 0.011 1 1
Brugia malayi Dopamine receptor protein 2 0.011 1 1
Echinococcus multilocularis fmrfamide receptor 0.011 1 1
Echinococcus granulosus neuropeptides capa receptor 0.011 1 1
Schistosoma mansoni amine GPCR 0.011 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.011 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0053 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0098 0.7883 1
Brugia malayi hypothetical protein 0.011 1 1
Brugia malayi G protein-coupled receptor 0.011 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.011 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus g protein coupled receptor 0.011 1 1
Echinococcus granulosus neuropeptide receptor A26 0.011 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 1 1
Toxoplasma gondii phosphomannose isomerase type I protein 0.0098 0.7866 0.5
Brugia malayi putative neuropeptide receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis orexin receptor type 2 0.011 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.011 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Schistosoma mansoni myosin xvIII 0.011 1 1
Echinococcus granulosus neuropeptide s receptor 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.011 1 1
Brugia malayi neuropeptide F receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.011 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Brugia malayi GnHR receptor homolog 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0098 0.7883 1
Brugia malayi hypothetical protein 0.011 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Brugia malayi G-protein coupled receptor 0.011 1 1
Echinococcus multilocularis sex peptide receptor 0.011 1 1
Brugia malayi Melatonin receptor type 1A 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.011 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.011 1 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Brugia malayi Serotonin receptor 0.011 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.011 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Onchocerca volvulus 0.011 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus neuropeptide receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0098 0.7866 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.011 1 1
Entamoeba histolytica phosphomannose isomerase, putative 0.0098 0.7866 0.5
Onchocerca volvulus 0.011 1 0.5
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0098 0.7883 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0098 0.7866 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.011 1 1
Echinococcus granulosus neuropeptide receptor 0.011 1 1
Echinococcus granulosus G protein coupled receptor 139 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.011 1 1
Schistosoma mansoni amine GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus somatostatin receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.011 1 1
Echinococcus multilocularis neuropeptide receptor 0.011 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.011 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.011 1 1
Schistosoma mansoni histamine h1 receptor 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.011 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.011 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 1 1
Schistosoma mansoni amine GPCR 0.011 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.011 1 1
Brugia malayi sulfakinin receptor protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni adenoreceptor 0.011 1 1
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0053 0 0.5
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0098 0.7866 0.5
Brugia malayi hypothetical protein 0.011 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.011 1 1
Brugia malayi Dopamine receptor protein 1 0.011 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.011 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni opsin-like receptor 0.011 1 1
Echinococcus multilocularis g protein coupled receptor 0.011 1 1
Schistosoma mansoni neuropeptide receptor 0.011 1 1
Echinococcus granulosus hypothetical protein 0.011 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Echinococcus multilocularis neuropeptide receptor 0.011 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 1 1
Schistosoma mansoni opsin-like receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.011 1 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.011 1 1
Echinococcus multilocularis g protein coupled receptor 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Schistosoma mansoni amine GPCR 0.011 1 1
Schistosoma mansoni biogenic amine receptor 0.011 1 1
Leishmania major hypothetical protein, conserved 0.0098 0.7883 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni neuropeptide receptor 0.011 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.011 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.011 1 1
Echinococcus granulosus fmrfamide receptor 0.011 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus neuropeptide Y receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.011 1 1
Brugia malayi neuropeptide F receptor 0.011 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.011 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.011 1 1
Schistosoma mansoni amine GPCR 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus multilocularis somatostatin receptor 0.011 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.011 1 1
Echinococcus multilocularis neuropeptide s receptor 0.011 1 1
Echinococcus granulosus allatostatin A receptor 0.011 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Brugia malayi ORL1-like opioid receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 1 1
Echinococcus multilocularis g protein coupled receptor 0.011 1 1
Echinococcus granulosus neuropeptide Y receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.011 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.011 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.011 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.011 1 1
Echinococcus granulosus serotonin receptor 0.011 1 1
Brugia malayi Dopamine receptor 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Brugia malayi hypothetical protein 0.011 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Onchocerca volvulus 0.011 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.011 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) >> 10 uM Inhibitory activity against Fructose-1,6-bisphosphatase (F16BPase) in human liver ChEMBL. 12781194

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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