Detailed information for compound 376452

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.856 | Formula: C19H21ClN5O+
  • H donors: 0 H acceptors: 3 LogP: 6.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCn1nnn[n+]1C1(CCC1)c1ccc(cc1)Cl
  • InChi: 1S/C19H21ClN5O/c1-26-18-9-3-15(4-10-18)11-14-24-22-21-23-25(24)19(12-2-13-19)16-5-7-17(20)8-6-16/h3-10H,2,11-14H2,1H3/q+1
  • InChiKey: YVYDOEIFNPYSGZ-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 multilocularis orexin receptor type 2 0.0094 0.0646 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.0646 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus sex peptide receptor 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine receptor 0.0094 0.0646 0.5
Loa Loa (eye worm) acyl carrier protein 0.0104 0.0922 0.0344
Schistosoma mansoni hypothetical protein 0.0094 0.0646 0.5
Echinococcus granulosus serotonin receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.024 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0126 0.1557 0.1139
Mycobacterium tuberculosis Probable thioesterase TesA 0.0188 0.3283 0.4398
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0078 0.0188 0.0251
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0226 0.4337 0.581
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0094 0.0646 0.5
Echinococcus multilocularis fmrfamide receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0337 0.7465 1
Mycobacterium ulcerans polyketide synthase 0.0226 0.4337 0.581
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0149 0.2195 0.2941
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.0646 0.5
Schistosoma mansoni opsin-like receptor 0.0094 0.0646 0.5
Loa Loa (eye worm) hypothetical protein 0.0379 0.8637 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.0646 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.024 0.473 1
Echinococcus multilocularis g protein coupled receptor 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0094 0.0646 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0094 0.0646 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.0646 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0094 0.0646 0.5
Loa Loa (eye worm) fatty acid synthase 0.0223 0.4253 0.4514
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0094 0.0646 0.5
Schistosoma mansoni hypothetical protein 0.0094 0.0646 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0094 0.0646 0.5
Onchocerca volvulus 0.0393 0.9021 0.9552
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0211 0.3922 0.5254
Echinococcus multilocularis neuropeptide receptor 0.0094 0.0646 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0094 0.0646 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0337 0.7465 1
Echinococcus multilocularis sex peptide receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0226 0.4337 0.581
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0094 0.0646 0.5
Schistosoma mansoni opsin-like receptor 0.0094 0.0646 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0226 0.4337 0.581
Echinococcus multilocularis dro:myosuppressin receptor 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0094 0.0646 0.5
Echinococcus granulosus g protein coupled receptor 0.0094 0.0646 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0094 0.0646 0.5
Schistosoma mansoni neuropeptide receptor 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Schistosoma mansoni histamine h1 receptor 0.0094 0.0646 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0226 0.4337 0.581
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Mycobacterium tuberculosis Polyketide synthase Pks12 0.024 0.473 0.6337
Echinococcus granulosus neuropeptide receptor 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0094 0.0646 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptide receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0226 0.4337 0.581
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0094 0.0646 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0094 0.0646 0.5
Echinococcus granulosus hypothetical protein 0.0094 0.0646 0.5
Echinococcus multilocularis fmrfamide receptor 0.0094 0.0646 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0094 0.0646 0.5
Echinococcus multilocularis g protein coupled receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0226 0.4337 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0219 0.4144 0.5551
Schistosoma mansoni neuropeptide F-like receptor 0.0094 0.0646 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0094 0.0646 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0094 0.0646 0.5
Echinococcus granulosus g protein coupled receptor 0.0094 0.0646 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0149 0.2195 0.2941
Schistosoma mansoni amine GPCR 0.0094 0.0646 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.024 0.473 0.6337
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Schistosoma mansoni amine GPCR 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine receptor 0.0094 0.0646 0.5
Echinococcus granulosus g protein coupled receptor 0.0094 0.0646 0.5
Echinococcus granulosus somatostatin receptor 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.024 0.473 0.6337
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.0646 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0094 0.0646 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0094 0.0646 0.5
Schistosoma mansoni neuropeptide receptor 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine receptor 0.0094 0.0646 0.5
Echinococcus granulosus allatostatin A receptor 0.0094 0.0646 0.5
Mycobacterium leprae Polyketide synthase Pks13 0.0337 0.7465 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0188 0.3283 0.4398
Brugia malayi AMP-binding enzyme family protein 0.0211 0.3922 0.3502
Schistosoma mansoni biogenic amine (5HT) receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0128 0.1609 0.2155
Echinococcus granulosus biogenic amine 5HT receptor 0.0094 0.0646 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0094 0.0646 0.5
Echinococcus multilocularis serotonin receptor 0.0094 0.0646 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0226 0.4337 0.3946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0094 0.0646 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0226 0.4337 0.581
Echinococcus granulosus neuropeptide receptor A26 0.0094 0.0646 0.5
Mycobacterium ulcerans thioesterase 0.0188 0.3283 0.4398
Echinococcus multilocularis g-protein coupled receptor 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0094 0.0646 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0211 0.3922 0.4099
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0337 0.7465 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0182 0.3102 0.4155
Schistosoma mansoni opsin-like receptor 0.0094 0.0646 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0094 0.0646 0.5
Echinococcus multilocularis serotonin receptor 0.0094 0.0646 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0094 0.0646 0.5
Schistosoma mansoni hypothetical protein 0.0094 0.0646 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0226 0.4337 0.581
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0185 0.3185 0.4267
Schistosoma mansoni alpha-1 adrenergic receptor 0.0094 0.0646 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0094 0.0646 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0094 0.0646 0.5
Echinococcus granulosus g-protein coupled receptor 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.024 0.473 0.6337
Echinococcus granulosus peptide allatostatin:somatostatin 0.0094 0.0646 0.5
Echinococcus granulosus orexin receptor type 2 0.0094 0.0646 0.5
Schistosoma mansoni adenoreceptor 0.0094 0.0646 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0094 0.0646 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0161 0.2515 0.3708
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0094 0.0646 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0094 0.0646 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0094 0.0646 0.5
Schistosoma mansoni amine GPCR 0.0094 0.0646 0.5
Schistosoma mansoni hypothetical protein 0.0094 0.0646 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0091 0.0571 0.0765
Mycobacterium ulcerans polyketide synthase 0.024 0.473 0.6337
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0094 0.0646 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.024 0.473 0.6337
Schistosoma mansoni amine GPCR 0.0094 0.0646 0.5
Onchocerca volvulus 0.0211 0.3922 0.3736
Echinococcus granulosus 7tm_1 domain containing protein 0.0094 0.0646 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0094 0.0646 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0094 0.0646 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0094 0.0646 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0094 0.0646 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0182 0.3102 0.4155
Schistosoma mansoni neuropeptide receptor 0.0094 0.0646 0.5
Echinococcus multilocularis g protein coupled receptor 0.0094 0.0646 0.5
Schistosoma mansoni myosin xvIII 0.0094 0.0646 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0407 0.9413 1
Echinococcus multilocularis neuropeptide Y receptor 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Echinococcus multilocularis allatostatin A receptor 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0094 0.0646 0.5
Schistosoma mansoni amine GPCR 0.0094 0.0646 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptide receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0182 0.3102 0.4155
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0094 0.0646 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0094 0.0646 0.5
Mycobacterium ulcerans thioesterase TesA 0.0188 0.3283 0.4398
Echinococcus multilocularis somatostatin receptor 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0219 0.4144 0.5551
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0162 0.2556 0.3424
Echinococcus granulosus neuropeptides capa receptor 0.0094 0.0646 0.5
Schistosoma mansoni neuropeptide receptor 0.0094 0.0646 0.5
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0146 0.2116 0.2574
Mycobacterium ulcerans Type I modular polyketide synthase 0.0226 0.4337 0.581
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0094 0.0646 0.5
Mycobacterium leprae Probable polyketide synthase Pks1 0.024 0.473 0.6337
Echinococcus granulosus fmrfamide receptor 0.0094 0.0646 0.5
Echinococcus granulosus neuropeptide s receptor 0.0094 0.0646 0.5
Mycobacterium ulcerans polyketide synthase Pks9 0.0149 0.2195 0.2941
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0094 0.0646 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0094 0.0646 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.024 0.473 0.6337
Echinococcus multilocularis G-protein coupled receptor, putative 0.0094 0.0646 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 20 % Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay at 1uM ChEMBL. 17010606
Inhibition (functional) = 20 % Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay at 1uM ChEMBL. 17010606

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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