Detailed information for compound 1052708

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.332 | Formula: C18H16N2O
  • H donors: 0 H acceptors: 2 LogP: 3.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nccc2c1cccc2)c1ccc(cc1)N(C)C
  • InChi: 1S/C18H16N2O/c1-20(2)15-9-7-14(8-10-15)18(21)17-16-6-4-3-5-13(16)11-12-19-17/h3-12H,1-2H3
  • InChiKey: VLZCUILURBLEGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References

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 TAR-binding protein 0.0065 0.0651 0.1513
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0029 0.0215 0.0735
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0254 0.2928 0.6933
Schistosoma mansoni nephrin 0.0013 0.0015 0.0051
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0329
Onchocerca volvulus Tyrosine kinase homolog 0.0336 0.3928 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0651 0.1513
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0651 0.1513
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Echinococcus granulosus defective proboscis extension response 0.0022 0.0128 0.0436
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0191
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0261 0.3012 0.7134
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0022 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0155
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0013 0.0015 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0155 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.2223
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0013 0.0015 0.0015
Echinococcus multilocularis GPCR, family 2 0.0016 0.0056 0.0056
Echinococcus granulosus Immunoglobulin 0.0022 0.0128 0.0436
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0022 0.0128 0.0436
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0013 0.0015 0.0051
Loa Loa (eye worm) hypothetical protein 0.0035 0.0285 0.0642
Leishmania major hypothetical protein, conserved 0.0026 0.0174 0.0068
Schistosoma mansoni roundabout 0.0013 0.0015 0.0051
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0254 0.2928 0.5
Brugia malayi RNA binding protein 0.0065 0.0651 0.1513
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0155
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0155 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0155 0.0334
Echinococcus multilocularis Immunoglobulin 0.0022 0.0128 0.0128
Echinococcus multilocularis hemicentin 1 0.0013 0.0015 0.0015
Schistosoma mansoni vesicular amine transporter 0.0022 0.0128 0.0436
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.064
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0254 0.2928 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0254 0.2928 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Schistosoma mansoni titin 0.0013 0.0015 0.0051
Echinococcus granulosus twitchin 0.0028 0.0196 0.0671
Schistosoma mansoni tyrosine kinase 0.0014 0.0026 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0155 0.0334
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0155 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0155 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0013 0.0015 0.0015
Echinococcus granulosus neuroglian 0.0028 0.0196 0.0671
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0254 0.2928 0.6933
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.2223
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0254 0.2928 1
Echinococcus multilocularis roundabout 2 0.0013 0.0015 0.0015
Loa Loa (eye worm) TK/KIN16 protein kinase 0.036 0.4216 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0022 0.0128 0.0436
Schistosoma mansoni cell adhesion molecule 0.0029 0.0215 0.0735
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0191
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.008 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0155 0.0334
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0482 0.1112
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0155 0.0334
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0155
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0013 0.0015 0.0015
Echinococcus granulosus GPCR family 2 0.0016 0.0056 0.0191
Echinococcus multilocularis hemicentin 1 0.0013 0.0015 0.0015
Schistosoma mansoni neuroglian 0.0013 0.0015 0.0051
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0056 0.0097
Onchocerca volvulus 0.0024 0.0155 0.0358
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0128 0.0268
Brugia malayi hypothetical protein 0.0026 0.0174 0.0378
Schistosoma mansoni nephrin 0.0028 0.0196 0.0671
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0254 0.2928 1
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0191
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0191
Schistosoma mansoni hypothetical protein 0.0035 0.0285 0.0973
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0155
Echinococcus granulosus roundabout 2 0.0013 0.0015 0.0051
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0254 0.2928 1
Schistosoma mansoni septate junction protein 0.0013 0.0015 0.0051
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0285 0.0642
Loa Loa (eye worm) hypothetical protein 0.0024 0.0155 0.0334
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.2223
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0155 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0155 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.0651 0.2223
Echinococcus granulosus contactin 0.0013 0.0015 0.0051
Echinococcus multilocularis Immunoglobulin 0.0022 0.0128 0.0128
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0155 1
Echinococcus granulosus hemicentin 1 0.0013 0.0015 0.0051
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0155 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0254 0.2928 0.5
Schistosoma mansoni cell adhesion molecule 0.0013 0.0015 0.0051
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0155 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0191
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0254 0.2928 0.2928
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0013 0.0015 0.0015
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0155 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0482 0.1112
Schistosoma mansoni cell adhesion molecule 0.0013 0.0015 0.0051
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Echinococcus granulosus lachesin 0.0013 0.0015 0.0051
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0482 0.1112
Loa Loa (eye worm) hypothetical protein 0.0016 0.0056 0.0097
Echinococcus granulosus peroxidasin 0.0013 0.0015 0.0051
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0254 0.2928 1
Schistosoma mansoni septate junction protein 0.0013 0.0015 0.0051
Loa Loa (eye worm) RNA binding protein 0.0065 0.0651 0.1513
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.008 0.139
Echinococcus multilocularis roundabout 2 0.0035 0.0284 0.0284
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0329
Brugia malayi hypothetical protein 0.0022 0.0128 0.0268
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0254 0.2928 0.6933
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0254 0.2928 1
Echinococcus multilocularis neuroglian 0.0028 0.0196 0.0196
Brugia malayi Fibronectin type III domain containing protein 0.0022 0.0128 0.0268
Schistosoma mansoni cell adhesion molecule 0.0013 0.0015 0.0051
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0155 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0056 0.0056
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0651 0.0651
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.2223
Echinococcus multilocularis roundabout 2 0.0013 0.0015 0.0015
Brugia malayi hypothetical protein 0.0017 0.0062 0.0112
Schistosoma mansoni hypothetical protein 0.0016 0.0056 0.0191
Echinococcus granulosus roundabout 2 0.0013 0.0015 0.0051
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0174 0.0329
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0013 0.0015 0.0051
Brugia malayi Immunoglobulin I-set domain containing protein 0.036 0.4216 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0215 0.0477
Echinococcus multilocularis tyrosine protein kinase otk 0.0013 0.0015 0.0015
Echinococcus granulosus tyrosine protein kinase otk 0.0013 0.0015 0.0051
Echinococcus multilocularis lachesin 0.0013 0.0015 0.0015
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0254 0.2928 1
Echinococcus multilocularis neuroglian 0.0013 0.0015 0.0015
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0155 1
Brugia malayi follicle stimulating hormone receptor 0.0261 0.3012 0.7134
Loa Loa (eye worm) hypothetical protein 0.0035 0.0284 0.064
Onchocerca volvulus 0.033 0.3849 0.9797
Loa Loa (eye worm) hypothetical protein 0.0022 0.0128 0.0268
Echinococcus granulosus roundabout 2 0.0035 0.0284 0.097
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0254 0.2928 0.6933
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0651 0.1513
Loa Loa (eye worm) hypothetical protein 0.0052 0.0482 0.1112
Echinococcus granulosus neuroglian 0.0013 0.0015 0.0051
Loa Loa (eye worm) hypothetical protein 0.0026 0.0174 0.0378
Echinococcus multilocularis peroxidasin 0.0013 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0018 0.008 0.0155
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0254 0.2928 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0056 0.0097
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0056 0.0056
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0254 0.2928 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0155 0.0334
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0651 0.2223
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0056 0.0097
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0013 0.0015 0.0051

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 56 % Agonist activity at human CB2 receptor expressed in CHO cells at 10 uM by [35]GTPgammaS binding assay relative to basal level ChEMBL. 19477133
Activity (binding) = 99 % Agonist activity at rat cerebellar membrane CB1 receptor at 10 uM by [35]GTPgammaS binding assay relative to basal level ChEMBL. 19477133
EC50 (binding) = 5.6 Agonist activity at human CB2 receptor expressed in CHO cells by [35]GTPgammaS binding assay ChEMBL. 19477133
Emax (binding) = 68 % Agonist activity at human CB2 receptor expressed in CHO cells at 10 uM by [35]GTPgammaS binding assay relative to HU210 ChEMBL. 19477133

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.

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