Detailed information for compound 1499934

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 185.631 | Formula: C7H4ClNOS
  • H donors: 1 H acceptors: 1 LogP: 1.4 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(Cl)c2c([nH]1)ccs2
  • InChi: 1S/C7H4ClNOS/c8-4-3-6(10)9-5-1-2-11-7(4)5/h1-3H,(H,9,10)
  • InChiKey: MDEADSGMJSCOBN-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
Echinococcus granulosus serotonin receptor 0.0067 1 1
Schistosoma mansoni amine GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0067 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0067 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0067 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0067 1 1
Echinococcus granulosus g protein coupled receptor 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0067 1 1
Schistosoma mansoni biogenic amine receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis g protein coupled receptor 0.0067 1 1
Brugia malayi GnHR receptor homolog 0.0067 1 1
Echinococcus multilocularis fmrfamide receptor 0.0067 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0067 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0067 1 1
Echinococcus multilocularis fmrfamide receptor 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.4975 1
Echinococcus granulosus orexin receptor type 2 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Brugia malayi Dopamine receptor protein 1 0.0067 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.8494 1
Brugia malayi G-protein coupled receptor 0.0067 1 1
Schistosoma mansoni neuropeptide receptor 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0067 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0067 1 1
Brugia malayi neuropeptide F receptor 0.0067 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0067 1 1
Echinococcus multilocularis dna polymerase eta 0.0043 0.4975 0.4975
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Giardia lamblia DINP protein human, muc B family 0.0018 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0067 1 1
Echinococcus multilocularis serotonin receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0067 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0018 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0067 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0067 1 0.5
Brugia malayi hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0067 1 1
Brugia malayi putative neuropeptide receptor 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Brugia malayi G-protein coupled receptor 0.0067 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0067 1 1
Brugia malayi ORL1-like opioid receptor 0.0067 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0067 1 1
Brugia malayi Melatonin receptor type 1A 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus fmrfamide receptor 0.0067 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Schistosoma mansoni opsin-like receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0067 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0067 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0067 1 1
Schistosoma mansoni myosin xvIII 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0067 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0067 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0067 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.8494 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0067 1 1
Schistosoma mansoni hypothetical protein 0.0067 1 1
Echinococcus multilocularis allatostatin A receptor 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Onchocerca volvulus 0.0067 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.8494 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0067 1 1
Echinococcus multilocularis sex peptide receptor 0.0067 1 1
Brugia malayi Serotonin receptor 0.0067 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0067 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0067 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0067 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0067 1 1
Schistosoma mansoni opsin-like receptor 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Onchocerca volvulus 0.0067 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0067 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0067 1 1
Echinococcus granulosus neuropeptide receptor 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.8494 0.8494
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0067 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.8494 1
Onchocerca volvulus 0.0067 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.8494 1
Loa Loa (eye worm) TYRA-2 protein 0.0067 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus allatostatin A receptor 0.0067 1 1
Echinococcus granulosus neuropeptide s receptor 0.0067 1 1
Echinococcus multilocularis neuropeptide receptor 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.8494 0.8494
Brugia malayi AKH receptor 0.0067 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.4975 0.4975
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus sex peptide receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis orexin receptor type 2 0.0067 1 1
Brugia malayi G protein-coupled receptor 0.0067 1 1
Schistosoma mansoni amine GPCR 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0067 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0067 1 1
Schistosoma mansoni amine GPCR 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus dna polymerase eta 0.0043 0.4975 0.4975
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0067 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.2376 0.4775
Onchocerca volvulus 0.0067 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.4975 0.4975
Echinococcus granulosus G protein coupled receptor 139 0.0067 1 1
Brugia malayi follicle stimulating hormone receptor 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0067 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni neuropeptide receptor 0.0067 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0067 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0067 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0067 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0067 1 1
Schistosoma mansoni opsin-like receptor 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0067 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0067 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0067 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0067 1 1
Echinococcus granulosus g protein coupled receptor 0.0067 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0067 1 1
Brugia malayi hypothetical protein 0.0067 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0067 1 0.5
Brugia malayi sulfakinin receptor protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.8494 1
Echinococcus multilocularis g protein coupled receptor 0.0067 1 1
Brugia malayi Serotonin receptor 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0067 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0067 1 1
Echinococcus multilocularis neuropeptide receptor 0.0067 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0067 1 1
Schistosoma mansoni biogenic amine receptor 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0018 0 0.5
Brugia malayi RE15519p 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0067 1 1
Schistosoma mansoni hypothetical protein 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0067 1 1
Schistosoma mansoni hypothetical protein 0.0067 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0067 1 1
Brugia malayi neuropeptide F receptor 0.0067 1 1
Brugia malayi larval opioid receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni adenoreceptor 0.0067 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.4975 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.8494 0.8494
Brugia malayi hypothetical protein 0.0067 1 1
Schistosoma mansoni histamine h1 receptor 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0018 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0067 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0067 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0067 1 1
Echinococcus multilocularis serotonin receptor 0.0067 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0067 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0067 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0067 1 1
Leishmania major DNA polymerase eta, putative 0.003 0.2376 0.2797
Leishmania major DNA polymerase eta, putative 0.0043 0.4975 0.5857
Echinococcus granulosus hypothetical protein 0.0067 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0067 1 1
Echinococcus granulosus somatostatin receptor 0.0067 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Echinococcus granulosus g-protein coupled receptor 0.0067 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0067 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0067 1 1
Brugia malayi Dopamine receptor protein 2 0.0067 1 1
Schistosoma mansoni amine GPCR 0.0067 1 1
Schistosoma mansoni biogenic amine receptor 0.0067 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Schistosoma mansoni DNA polymerase eta 0.0043 0.4975 0.4975
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.8494 0.8494
Schistosoma mansoni hypothetical protein 0.0067 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0067 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0067 1 1
Schistosoma mansoni amine GPCR 0.0067 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0067 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0067 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0067 1 1
Echinococcus multilocularis g protein coupled receptor 0.0067 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0067 1 1
Schistosoma mansoni neuropeptide receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Onchocerca volvulus 0.0067 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0067 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0067 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0067 1 1
Brugia malayi Dopamine receptor 0.0067 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0067 1 1
Echinococcus granulosus g protein coupled receptor 0.0067 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 102 uM Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximity assay ChEMBL. 24900229

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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