Detailed information for compound 1482058

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 360.767 | Formula: C18H14ClFN2O3
  • H donors: 0 H acceptors: 1 LogP: 4.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(F)ccc1Oc1c(Cl)cnn(c1=O)c1ccc(cc1)C
  • InChi: 1S/C18H14ClFN2O3/c1-11-3-6-13(7-4-11)22-18(23)17(14(19)10-21-22)25-15-8-5-12(20)9-16(15)24-2/h3-10H,1-2H3
  • InChiKey: RWSNGSWAGKETFU-UHFFFAOYSA-N  

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 neuropeptides B/W receptor 1 Starlite/ChEMBL No references
Homo sapiens melanin-concentrating hormone receptor 1 Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis growth hormone secretagogue receptor type 1 neuropeptides B/W receptor 1 328 aa 296 aa 21.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis peroxisome assembly protein 26 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Entamoeba histolytica tubulin family protein 0.0033 0.7938 0.7662
Plasmodium falciparum histone deacetylase, putative 0.0038 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0027 0.487 0.487
Loa Loa (eye worm) tubulin alpha chain 0.0027 0.487 0.487
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.487 0.487
Loa Loa (eye worm) tubulin alpha-2 chain 0.0027 0.487 0.487
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Echinococcus granulosus histone deacetylase 7 0.0038 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Plasmodium falciparum tubulin beta chain 0.0033 0.7938 0.7662
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis tubulin alpha chain 0.0027 0.487 0.4186
Brugia malayi histone deacetylase 3 (HD3) 0.0038 1 1
Trichomonas vaginalis tubulin, putative 0.0033 0.7938 0.7938
Loa Loa (eye worm) alpha-tubulin 0.0027 0.487 0.487
Brugia malayi Tubulin beta-1 chain 0.0033 0.7938 0.7662
Echinococcus granulosus tubulin beta 1 chain 0.0033 0.7938 0.7662
Loa Loa (eye worm) histone deacetylase 7A 0.0038 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0027 0.487 0.4186
Echinococcus multilocularis histone deacetylase 7 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Echinococcus granulosus tubulin alpha 3 chain 0.0027 0.487 0.4186
Trichomonas vaginalis tubulin gamma chain, putative 0.0033 0.7938 0.7938
Schistosoma mansoni tubulin subunit alpha 0.0027 0.487 0.4186
Loa Loa (eye worm) histone deacetylase 11 0.0038 1 1
Trypanosoma brucei alpha tubulin 0.0027 0.487 0.4186
Loa Loa (eye worm) histone deacetylase 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Trypanosoma cruzi beta tubulin, putative 0.0033 0.7938 0.7662
Trypanosoma brucei histone deacetylase 2 0.0038 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Giardia lamblia Alpha-tubulin 0.0027 0.487 0.4186
Giardia lamblia Histone deacetylase 0.0038 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.1133 0.1133
Leishmania major histone deacetylase, putative 0.0038 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0033 0.7938 0.7938
Plasmodium vivax tubulin beta chain, putative 0.0033 0.7938 0.7662
Toxoplasma gondii alpha tubulin TUBA1 0.0027 0.487 0.4186
Entamoeba histolytica histone deacetylase, putative 0.0038 1 1
Schistosoma mansoni histone deacetylase hda2 0.0038 1 1
Echinococcus multilocularis tubulin subunit beta 0.0033 0.7938 0.7662
Brugia malayi Histone deacetylase family protein 0.0038 1 1
Echinococcus granulosus histone deacetylase 8 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Schistosoma mansoni histone deacetylase 1 2 3 0.0038 1 1
Echinococcus multilocularis histone deacetylase 8 0.0038 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0033 0.7938 0.7938
Trypanosoma brucei histone deacetylase 4 0.0038 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.7938 0.7662
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.487 0.4186
Echinococcus granulosus histone deacetylase 6 0.0038 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0033 0.7938 0.7662
Trypanosoma brucei alpha tubulin 0.0027 0.487 0.4186
Schistosoma mansoni tubulin subunit alpha 0.0027 0.487 0.4186
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Leishmania major histone deacetylase, putative 0.0038 1 1
Schistosoma mansoni tubulin subunit alpha 0.0027 0.487 0.4186
Echinococcus granulosus tubulin alpha chain 0.0027 0.487 0.4186
Echinococcus multilocularis tubulin beta 1 chain 0.0033 0.7938 0.7662
Trypanosoma cruzi histone deacetylase, putative 0.0038 1 1
Leishmania major histone deacetylase, putative 0.0038 1 1
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Entamoeba histolytica tubulin alpha chain, putative 0.0027 0.487 0.4186
Trypanosoma brucei histone deacetylase 3 0.0038 1 1
Brugia malayi tubulin alpha chain - mouse 0.0027 0.487 0.4186
Trypanosoma brucei beta tubulin 0.0033 0.7938 0.7662
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.487 0.4186
Loa Loa (eye worm) tubulin gamma chain 0.0019 0.1178 0.1178
Echinococcus granulosus tubulin subunit TubB 0.0027 0.487 0.4186
Brugia malayi Histone deacetylase 1 0.0038 1 1
Loa Loa (eye worm) BEN-1 protein 0.0033 0.7938 0.7938
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Echinococcus multilocularis histone deacetylase 6 0.0038 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0033 0.7938 0.7938
Brugia malayi histone deacetylase 1 (HD1) 0.0038 1 1
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0019 0.1133 0.1133
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.7938 0.7662
Echinococcus multilocularis tubulin alpha 1C chain 0.0027 0.487 0.4186
Schistosoma mansoni alpha tubulin 0.0027 0.487 0.4186
Trypanosoma cruzi histone deacetylase, putative 0.0038 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0027 0.487 0.4186
Giardia lamblia Beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.7938 0.7662
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Echinococcus multilocularis histone deacetylase 6 0.0038 1 1
Plasmodium falciparum alpha tubulin 1 0.0027 0.487 0.4186
Plasmodium vivax histone deacetylase 2, putative 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Plasmodium vivax histone deacetylase, putative 0.0038 1 1
Loa Loa (eye worm) beta-tubulin 0.0033 0.7938 0.7938
Brugia malayi Tubulin alpha chain 0.0027 0.487 0.4186
Echinococcus granulosus tubulin beta 4A class IVa 0.0033 0.7938 0.7662
Echinococcus granulosus histone deacetylase 0.0038 1 1
Echinococcus granulosus tubulin alpha chain 0.0027 0.487 0.4186
Loa Loa (eye worm) histone deacetylase 1 0.0038 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0019 0.1178 0.1178
Schistosoma mansoni alpha tubulin 0.0027 0.487 0.4186
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Echinococcus multilocularis tubulin alpha chain 0.0027 0.487 0.4186
Entamoeba histolytica tubulin alpha-1 chain 0.0027 0.487 0.4186
Trypanosoma cruzi histone deacetylase 1, putative 0.0038 1 1
Echinococcus multilocularis tubulin alpha chain 0.0027 0.487 0.4186
Trypanosoma brucei beta tubulin 0.0033 0.7938 0.7662
Schistosoma mansoni histone deacetylase hda2 0.0038 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0038 1 1
Loa Loa (eye worm) alpha-tubulin 0.0027 0.487 0.487
Loa Loa (eye worm) tubulin beta chain 0.0033 0.7938 0.7938
Loa Loa (eye worm) hypothetical protein 0.0027 0.487 0.487
Trypanosoma cruzi alpha tubulin, putative 0.0027 0.487 0.4186
Loa Loa (eye worm) BEN-1 protein 0.0033 0.7938 0.7938
Trichomonas vaginalis tubulin alpha chain, putative 0.0019 0.1178 0.1178
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0033 0.7938 0.7662
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.7938 0.7662
Loa Loa (eye worm) hypothetical protein 0.0038 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Echinococcus multilocularis tubulin alpha chain 0.0027 0.487 0.4186
Plasmodium vivax tubulin alpha chain, putative 0.0027 0.487 0.4186
Toxoplasma gondii histone deacetylase HDAC5 0.0038 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0027 0.487 0.487
Loa Loa (eye worm) tubulin beta-2A chain 0.0033 0.7938 0.7938
Toxoplasma gondii beta-tubulin, putative 0.0033 0.7938 0.7662
Toxoplasma gondii histone deacetylase HDAC4 0.0038 1 1
Plasmodium falciparum histone deacetylase 1 0.0038 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.7938 0.7662
Giardia lamblia Beta tubulin 0.0033 0.7938 0.7662
Schistosoma mansoni alpha tubulin 0.0027 0.487 0.4186
Echinococcus multilocularis histone deacetylase 6 0.0038 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.7938 0.7662
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0038 1 1
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Echinococcus multilocularis tubulin subunit TubB 0.0027 0.487 0.4186
Echinococcus granulosus tubulin alpha chain 0.0027 0.487 0.4186
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus granulosus Tubulin alpha 1 chain 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.7938 0.7662
Echinococcus multilocularis histone deacetylase 0.0038 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.7938 0.7662
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Echinococcus multilocularis tubulin alpha 3 chain 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Leishmania major histone deacetylase, putative 0.0038 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0033 0.7938 0.7662
Plasmodium falciparum histone deacetylase 2 0.0038 1 1
Echinococcus granulosus tubulin alpha chain 0.0027 0.487 0.4186
Brugia malayi beta-tubulin, identical 0.0033 0.7938 0.7662
Trypanosoma brucei alpha tubulin 0.0027 0.487 0.4186
Giardia lamblia Alpha-tubulin 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Trypanosoma brucei beta tubulin 0.0033 0.7938 0.7662
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus granulosus tubulin alpha 1C chain 0.0027 0.487 0.4186
Trichomonas vaginalis tubulin gamma chain, putative 0.0019 0.1178 0.1178
Echinococcus granulosus tubulin subunit beta 0.0033 0.7938 0.7662
Brugia malayi histone deacetylase 11 0.0038 1 1
Schistosoma mansoni histone deacetylase 0.0038 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.7938 0.7938
Echinococcus granulosus peroxisome assembly protein 26 0.0027 0.487 0.4186
Echinococcus granulosus tubulin alpha chain 0.0027 0.487 0.4186
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Plasmodium vivax histone deacetylase 1, putative 0.0038 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0027 0.487 0.4186
Loa Loa (eye worm) tubulin beta-4 chain 0.0033 0.7938 0.7938
Trypanosoma brucei beta tubulin 0.0033 0.7938 0.7662
Schistosoma mansoni histone deacetylase 0.0038 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0038 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.0038 1 1
Toxoplasma gondii beta tubulin 0.0033 0.7938 0.7662
Echinococcus granulosus alpha tubulin 0.0027 0.487 0.4186
Echinococcus multilocularis histone deacetylase 1 0.0038 1 1
Echinococcus multilocularis beta tubulin 0.0033 0.7938 0.7662
Trypanosoma brucei histone deacetylase 1 0.0038 1 1
Echinococcus granulosus beta tubulin 0.0033 0.7938 0.7662
Trypanosoma brucei alpha tubulin 0.0027 0.487 0.4186
Trichomonas vaginalis histone deacetylase, putative 0.0038 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0038 1 0.5
Echinococcus multilocularis histone deacetylase 3 0.0038 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.487 0.4186
Brugia malayi Tubulin alpha-2 chain 0.0027 0.487 0.4186
Brugia malayi Tubulin alpha-2 chain 0.0027 0.487 0.4186
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Trypanosoma cruzi histone deacetylase 1, putative 0.0038 1 1
Echinococcus multilocularis beta tubulin 0.0033 0.7938 0.7662
Loa Loa (eye worm) histone deacetylase 3 0.0038 1 1
Brugia malayi tubulin alpha-2 chain 0.0027 0.487 0.4186
Loa Loa (eye worm) tubulin alpha 2 0.0019 0.1133 0.1133
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis Tubulin alpha 1 chain 0.0027 0.487 0.4186
Echinococcus granulosus tubulin alpha 1C chain 0.0027 0.487 0.4186
Entamoeba histolytica tubulin family protein 0.0033 0.7938 0.7662
Plasmodium vivax histone deacetylase, putative 0.0038 1 1
Echinococcus granulosus histone deacetylase 6 0.0038 1 1
Echinococcus granulosus histone deacetylase 3 0.0038 1 1
Echinococcus granulosus histone deacetylase 1 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Plasmodium vivax tubulin alpha chain, putative 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Toxoplasma gondii histone deacetylase HDAC3 0.0038 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0038 1 1
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.487 0.487
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0019 0.1133 0.1133
Trypanosoma brucei histone deacetylase, putative 0.0038 1 1
Echinococcus multilocularis hypothetical protein 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Leishmania major alpha tubulin 0.0027 0.487 0.4186
Schistosoma mansoni histone deacetylase 4 5 0.0038 1 1
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Echinococcus multilocularis tubulin alpha 3 chain 0.0027 0.487 0.4186
Giardia lamblia Beta tubulin 0.0033 0.7938 0.7662
Echinococcus multilocularis tubulin alpha chain 0.0027 0.487 0.4186
Echinococcus granulosus Tubulin beta 2C chain 0.0033 0.7938 0.7662
Echinococcus granulosus histone deacetylase 6 0.0038 1 1
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Trichomonas vaginalis tubulin epsilon chain, putative 0.0033 0.7938 0.7938
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Trypanosoma cruzi histone deacetylase, putative 0.0038 1 1
Brugia malayi alpha-tubulin 0.0027 0.487 0.4186
Leishmania major beta tubulin 0.0033 0.7938 0.7662
Loa Loa (eye worm) tubulin alpha 2 0.0019 0.1133 0.1133
Echinococcus granulosus beta tubulin 0.0033 0.7938 0.7662
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.487 0.487
Schistosoma mansoni tubulin subunit beta 0.0033 0.7938 0.7662
Plasmodium falciparum alpha tubulin 2 0.0027 0.487 0.4186

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.5 uM PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1861, AID1880, AID1952, AID2148, AID2251, AID2257, AID485339] ChEMBL. No reference
IC50 (functional) = 9.7 uM PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1861, AID1880, AID1952, AID2148, AID2251, AID2257, AID485339] ChEMBL. No reference

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.