Detailed information for compound 919271

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.331 | Formula: C18H16N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)OC(=C([C@H]2c1cccc(c1)OC)C#N)N
  • InChi: 1S/C18H16N2O3/c1-21-12-5-3-4-11(8-12)17-14-7-6-13(22-2)9-16(14)23-18(20)15(17)10-19/h3-9,17H,20H2,1-2H3/t17-/m0/s1
  • InChiKey: WKLKYONGSSJYLW-KRWDZBQOSA-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
Brugia malayi Dopamine receptor protein 1 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis orexin receptor type 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus g-protein coupled receptor 0.1366 1 1
Echinococcus granulosus neuropeptide receptor A26 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Echinococcus granulosus neuropeptide receptor 0.1366 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi follicle stimulating hormone receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus neuropeptide s receptor 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1366 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.1366 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni histamine h1 receptor 0.1366 1 1
Echinococcus granulosus serotonin receptor 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1366 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1366 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Brugia malayi Melatonin receptor type 1A 0.1366 1 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0891 0.516 0.5
Brugia malayi Serotonin receptor 0.1366 1 1
Echinococcus multilocularis sex peptide receptor 0.1366 1 1
Brugia malayi G-protein coupled receptor 0.1366 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0478 0.0958 0.5
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0478 0.0958 0.0958
Onchocerca volvulus 0.1366 1 1
Echinococcus multilocularis fmrfamide receptor 0.1366 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Brugia malayi neuropeptide F receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi ORL1-like opioid receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Brugia malayi AKH receptor 0.1366 1 1
Brugia malayi G-protein coupled receptor 0.1366 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.1366 1 1
Echinococcus multilocularis g-protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis serotonin receptor 0.1366 1 1
Loa Loa (eye worm) serotonin transporter b 0.0478 0.0958 0.0958
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1366 1 1
Echinococcus multilocularis allatostatin A receptor 0.1366 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.1366 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1366 1 1
Brugia malayi Dopamine receptor protein 2 0.1366 1 1
Brugia malayi sulfakinin receptor protein 0.1366 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.1366 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1366 1 1
Echinococcus granulosus orexin receptor type 2 0.1366 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1366 1 1
Echinococcus granulosus sex peptide receptor 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Echinococcus multilocularis serotonin receptor 0.1366 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1366 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1366 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Brugia malayi Dopamine receptor 0.1366 1 1
Echinococcus multilocularis fmrfamide receptor 0.1366 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1366 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1366 1 1
Schistosoma mansoni hypothetical protein 0.1366 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Loa Loa (eye worm) TYRA-2 protein 0.1366 1 1
Echinococcus granulosus hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1366 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.1366 1 1
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0891 0.516 0.5
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi GnHR receptor homolog 0.1366 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0478 0.0958 0.0958
Echinococcus granulosus neuropeptide Y receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1366 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1366 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1366 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0891 0.516 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.1366 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Schistosoma mansoni neuropeptide receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1366 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1366 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus allatostatin A receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1366 1 1
Echinococcus granulosus somatostatin receptor 0.1366 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.1366 1 1
Echinococcus multilocularis neuropeptide s receptor 0.1366 1 1
Echinococcus multilocularis somatostatin receptor 0.1366 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.1366 1 1
Brugia malayi neuropeptide F receptor 0.1366 1 1
Brugia malayi Serotonin receptor 0.1366 1 1
Brugia malayi G protein-coupled receptor 0.1366 1 1
Echinococcus granulosus fmrfamide receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni biogenic amine receptor 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1366 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0384 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.1366 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1366 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1366 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Schistosoma mansoni opsin-like receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.1366 1 1
Brugia malayi putative neuropeptide receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.1366 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.0478 0.0958 0.0958
Echinococcus granulosus neuropeptide receptor 0.1366 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus G protein coupled receptor 139 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Brugia malayi hypothetical protein 0.1366 1 1
Brugia malayi larval opioid receptor 0.1366 1 1
Brugia malayi RE15519p 0.1366 1 1
Loa Loa (eye worm) norepinephrine transporter 0.0478 0.0958 0.0958
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0384 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1366 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1366 1 1
Echinococcus granulosus g protein coupled receptor 0.1366 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1366 1 1
Schistosoma mansoni adenoreceptor 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Echinococcus multilocularis g protein coupled receptor 0.1366 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0384 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.1366 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1366 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1366 1 1
Schistosoma mansoni myosin xvIII 0.1366 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.1366 1 1
Loa Loa (eye worm) hypothetical protein 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1366 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1366 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1366 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1366 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1366 1 1
Schistosoma mansoni amine GPCR 0.1366 1 1
Echinococcus multilocularis neuropeptide receptor 0.1366 1 1
Onchocerca volvulus 0.1366 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.1366 1 1

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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