Detailed information for compound 109414

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.28 | Formula: C19H19Cl2N3O--
  • H donors: 2 H acceptors: 2 LogP: 3.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc(cc1)c1ccccc1.[Cl-].[Cl-]
  • InChi: 1S/C19H19N3O.2ClH/c20-18(11-17-12-21-13-22-17)19(23)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15;;/h1-9,12-13,18H,10-11,20H2,(H,21,22);2*1H/p-2/t18-;;/m0../s1
  • InChiKey: XSOBBCNDWXDGBF-NTEVMMBTSA-L  

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
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0055 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0055 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0055 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0055 0 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0055 0 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0055 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0055 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi larval opioid receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0055 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0055 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0055 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0055 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Schistosoma mansoni myosin xvIII 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0055 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0055 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0055 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Mycobacterium ulcerans histidinol dehydrogenase 0.1753 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0055 0 0.5
Echinococcus granulosus sex peptide receptor 0.0055 0 0.5
Brugia malayi putative neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Brugia malayi AKH receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0055 0 0.5
Brugia malayi G-protein coupled receptor 0.0055 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0055 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0055 0 0.5
Echinococcus multilocularis serotonin receptor 0.0055 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0055 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0055 0 0.5
Echinococcus granulosus serotonin receptor 0.0055 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0055 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 1 0.0055 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0055 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0055 0 0.5
Brugia malayi GnHR receptor homolog 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus somatostatin receptor 0.0055 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0055 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0055 0 0.5
Brugia malayi neuropeptide F receptor 0.0055 0 0.5
Echinococcus granulosus hypothetical protein 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni adenoreceptor 0.0055 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Brugia malayi G protein-coupled receptor 0.0055 0 0.5
Brugia malayi Serotonin receptor 0.0055 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi Dopamine receptor protein 2 0.0055 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0055 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0055 0 0.5
Brugia malayi Dopamine receptor 0.0055 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Brugia malayi RE15519p 0.0055 0 0.5
Brugia malayi Serotonin receptor 0.0055 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0055 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0055 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0055 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0055 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0055 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0055 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0055 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0055 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0055 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0055 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi neuropeptide F receptor 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Mycobacterium tuberculosis Probable histidinol dehydrogenase HisD (HDH) 0.1753 1 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Brugia malayi G-protein coupled receptor 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Brugia malayi sulfakinin receptor protein 0.0055 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0055 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0055 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0055 0 0.5
Schistosoma mansoni amine GPCR 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0055 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0055 0 0.5
Schistosoma mansoni opsin-like receptor 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0055 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0055 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0055 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0055 0 0.5
Onchocerca volvulus 0.0055 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0055 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0055 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.04 uM Inhibitory activity against histidinol dehydrogenase from cabbage Starlite. No reference
Ki (binding) = 2.9 nM Compound was tested binding affinity for histidinol dehydrogenase from cabbage. Starlite. No reference

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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