Detailed information for compound 1713851

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-RBDMOPTHSA-N  


Substructure search Similarity search

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

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