Detailed information for compound 1705144

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.546 | Formula: C22H27N5O4S
  • H donors: 2 H acceptors: 6 LogP: 2.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](CC[C@H]1NS(=O)(=O)c1cccc(c1)C)CCn1nnc(c1)c1ccccn1
  • InChi: 1S/C22H27N5O4S/c1-16-5-4-6-18(13-16)32(29,30)25-20-9-8-17(31-22(20)15-28)10-12-27-14-21(24-26-27)19-7-2-3-11-23-19/h2-7,11,13-14,17,20,22,25,28H,8-10,12,15H2,1H3/t17-,20+,22+/m0/s1
  • InChiKey: URFTXNRCLBVIMM-UCNVEGJOSA-N  


Substructure search Similarity search

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 rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0023 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0023 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0023 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0023 0 0.5
Schistosoma mansoni amine GPCR 0.0023 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0023 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0023 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0023 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0023 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0023 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0023 0 0.5
Echinococcus granulosus sex peptide receptor 0.0023 0 0.5
Schistosoma mansoni amine GPCR 0.0023 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0023 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0023 0 0.5
Schistosoma mansoni opsin-like receptor 0.0023 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0023 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0023 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0023 0 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0023 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0023 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni amine GPCR 0.0023 0 0.5
Leishmania major cytochrome p450-like protein 0.0028 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0023 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0023 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0023 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0023 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0028 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0023 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0023 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0023 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0028 1 1
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0023 0 0.5
Schistosoma mansoni amine GPCR 0.0023 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0023 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0023 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0023 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0023 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0023 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0023 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0023 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0023 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0023 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0023 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0023 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0023 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0023 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0023 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0023 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0028 1 0.5
Schistosoma mansoni hypothetical protein 0.0023 0 0.5
Schistosoma mansoni opsin-like receptor 0.0023 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0023 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0023 0 0.5
Schistosoma mansoni adenoreceptor 0.0023 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0023 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni opsin-like receptor 0.0023 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0023 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0023 0 0.5
Echinococcus multilocularis serotonin receptor 0.0023 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0023 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0023 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0023 0 0.5
Echinococcus granulosus serotonin receptor 0.0023 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0023 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0023 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0023 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0023 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0023 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0023 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0023 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0023 0 0.5
Echinococcus granulosus somatostatin receptor 0.0023 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0028 1 1
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0028 1 0.5
Schistosoma mansoni amine GPCR 0.0023 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0023 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0023 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0023 0 0.5
Echinococcus multilocularis serotonin receptor 0.0023 0 0.5
Schistosoma mansoni myosin xvIII 0.0023 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0023 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0023 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0023 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0023 0 0.5
Echinococcus granulosus hypothetical protein 0.0023 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0023 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0023 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0023 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0023 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0023 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0023 0 0.5

Activities

No activities found for this compound.

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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