Detailed information for compound 424595

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.827 | Formula: C19H19ClN3O-
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc(cc1)c1ccccc1.[Cl-]
  • InChi: 1S/C19H19N3O.ClH/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);1H/p-1/t18-;/m0./s1
  • InChiKey: YGUFROYROPHFPW-FERBBOLQSA-M  

Network

Hover on a compound node to display the structore

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.5 nM Inhibition of Brucella suis histidinol dehydrogenase ChEMBL. 17481905

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.