Detailed information for compound 1008057

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 190.195 | Formula: C11H10O3
  • H donors: 0 H acceptors: 1 LogP: 2.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)cc(c(=O)o2)C
  • InChi: 1S/C11H10O3/c1-7-5-8-6-9(13-2)3-4-10(8)14-11(7)12/h3-6H,1-2H3
  • InChiKey: DCILGSCUIBKXBX-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
Homo sapiens G protein-coupled receptor 55 Starlite/ChEMBL References
Rattus norvegicus Cannabinoid CB1 receptor 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
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0075 0.0249
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0777 0.3036
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0075 0.0249
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.001 0.0658
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0025 0.0051 0.0159
Trypanosoma cruzi ribonuclease H1, putative 0.029 0.2535 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0197 0.0738
Schistosoma mansoni hypothetical protein 0.0032 0.0116 0.0105
Loa Loa (eye worm) RNA binding protein 0.0073 0.05 0.1898
Trichomonas vaginalis reverse transcriptases, putative 0.0025 0.0051 0.0155
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.043 0.1628
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Schistosoma mansoni tar DNA-binding protein 0.0073 0.05 0.0489
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.05 0.1898
Giardia lamblia Reverse transcriptase/endonuclease 0.0025 0.0051 0.0159
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Schistosoma mansoni phosphoglucomutase 0.029 0.2535 0.2527
Brugia malayi RNase H family protein 0.029 0.2535 0.9789
Brugia malayi TAR-binding protein 0.0073 0.05 0.1896
Echinococcus multilocularis peregrin 0.0032 0.0116 0.0415
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0075 0.0249
Echinococcus granulosus RNA directed DNA polymerase 0.0025 0.0051 0.0159
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0777 0.3036
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0075 0.0253
Trypanosoma brucei ingi protein (ORF1) 0.0314 0.2766 0.2758
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0025 0.0051 0.0159
Onchocerca volvulus Ribonuclease H1 homolog 0.029 0.2535 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.05 0.0489
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0294 0.1098
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0197 0.243
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0075 0.0253
Brugia malayi reverse transcriptase 0.0025 0.0051 0.0155
Mycobacterium ulcerans glutaminase 0.0296 0.2589 1
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0025 0.0051 0.0155
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0178 0.0661
Giardia lamblia Ribonuclease H 0.029 0.2535 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Mycobacterium ulcerans hypothetical protein 0.0027 0.0075 0.0249
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0051 0.0159
Trypanosoma brucei polo-like protein kinase 0.0102 0.0777 0.0767
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0231 0.0873
Brugia malayi RNA binding protein 0.0073 0.05 0.1896
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Brugia malayi Bromodomain containing protein 0.0032 0.0116 0.0406
Echinococcus granulosus KRAB A domain containing protein 0.0025 0.0051 0.0159
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0075 0.0249
Mycobacterium tuberculosis Possible maturase 0.0025 0.0051 0.3233
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0075 0.0832
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0178 0.0661
Brugia malayi reverse transcriptase 0.0025 0.0051 0.0155
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0116 0.0408
Loa Loa (eye worm) hypothetical protein 0.0027 0.0075 0.0249
Brugia malayi Inositol-1 0.004 0.0197 0.0722
Schistosoma mansoni hypothetical protein 0.0025 0.0051 0.004
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0788 0.3077
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0197 0.0738
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0011 0.0002
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0025 0.0051 0.004
Schistosoma mansoni tar DNA-binding protein 0.0073 0.05 0.0489
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0116 0.0105
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0186 0.0679
Schistosoma mansoni glutaminase 0.0296 0.2589 0.2581
Brugia malayi Zinc knuckle family protein 0.0025 0.0051 0.0155
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0075 0.0247
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0075 0.4736
Brugia malayi Zinc knuckle family protein 0.0025 0.0051 0.0155
Plasmodium falciparum phd finger protein, putative 0.0032 0.0116 1
Brugia malayi PHD-finger family protein 0.0032 0.0116 0.0406
Brugia malayi hypothetical protein 0.0025 0.0051 0.0155
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0116 1
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0197 0.0738
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0197 0.0738
Loa Loa (eye worm) hypothetical protein 0.0032 0.0116 0.0408
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0011 0.0002
Treponema pallidum ribonuclease H (rnhA) 0.029 0.2535 1
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0025 0.0051 0.0159
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0011 0.0048
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0025 0.0051 0.0159
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0197 0.0738
Onchocerca volvulus 0.0027 0.0075 0.0095
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0075 0.0247
Leishmania major ribonuclease H1, putative 0.029 0.2535 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0178 0.0167
Schistosoma mansoni hypothetical protein 0.0039 0.0186 0.0175
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0197 0.0738
Loa Loa (eye worm) hypothetical protein 0.0057 0.0355 0.1336
Trypanosoma cruzi ribonuclease H1, putative 0.029 0.2535 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0075 0.0249
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0075 0.0247
Echinococcus multilocularis tar DNA binding protein 0.0073 0.05 0.1937
Loa Loa (eye worm) hypothetical protein 0.0027 0.0075 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Brugia malayi RNase H family protein 0.029 0.2535 0.9789
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.001 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0231 0.0873
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0777 0.3036
Echinococcus granulosus tar DNA binding protein 0.0073 0.05 0.1937
Schistosoma mansoni phosphoglucomutase 0.029 0.2535 0.2527
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0777 0.2973
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0116 0.0415
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.029 0.2535 1
Trichomonas vaginalis reverse transcriptases, putative 0.0025 0.0051 0.0155
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0075 0.0249
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0355 0.1335
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0197 0.0722
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0158 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.05 0.1896
Trypanosoma brucei hypothetical protein, conserved 0.0314 0.2766 0.2758
Trichomonas vaginalis glutaminase, putative 0.0296 0.2589 1
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0589 0.0579
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0075 0.0832
Giardia lamblia PHD finger protein 15 0.0032 0.0116 0.0415
Trypanosoma brucei unspecified product 0.0314 0.2766 0.2758
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Loa Loa (eye worm) inositol-1 0.004 0.0197 0.0724
Schistosoma mansoni inositol monophosphatase 0.004 0.0197 0.0186
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0314 0.2766 0.2758
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0355 0.1335
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0294 0.1098
Loa Loa (eye worm) hypothetical protein 0.0027 0.0075 0.0249
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0025 0.0051 0.0155
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0777 0.3036
Giardia lamblia Kinase, PLK 0.0102 0.0777 0.3036
Schistosoma mansoni kinase 0.0052 0.0307 0.0296
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0025 0.0051 0.0159
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0025 0.0051 0.004
Schistosoma mansoni protein kinase 0.0025 0.0051 0.004
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0178 0.0167
Onchocerca volvulus Alhambra homolog 0.0032 0.0116 0.0261
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0788 0.3077
Schistosoma mansoni hypothetical protein 0.0025 0.0051 0.004
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0011 0.0048
Trypanosoma brucei ingi protein (ORF1) 0.0314 0.2766 0.2758
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0075 0.0832
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Brugia malayi reverse transcriptase 0.0025 0.0051 0.0155
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0197 0.0186
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0197 0.0738
Brugia malayi jmjC domain containing protein 0.0103 0.0788 0.3012
Schistosoma mansoni tar DNA-binding protein 0.0073 0.05 0.0489
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0025 0.0051 0.0159
Trypanosoma brucei ribonuclease H1 0.029 0.2535 0.2527
Trichomonas vaginalis ribonuclease H1, putative 0.029 0.2535 0.9789
Echinococcus multilocularis RNA directed DNA polymerase 0.0025 0.0051 0.0159
Brugia malayi jmjC domain containing protein 0.0038 0.0178 0.0647
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0777 0.3036
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0777 0.0767
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Loa Loa (eye worm) glutaminase 2 0.0296 0.2589 1
Echinococcus granulosus ribonuclease H1 0.029 0.2535 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Echinococcus multilocularis ribonuclease H1 0.029 0.2535 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0025 0.0051 0.0159
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0025 0.0051 0.0159
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0158 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0777 0.2924
Brugia malayi hypothetical protein 0.0025 0.0051 0.0155
Loa Loa (eye worm) TAR-binding protein 0.0073 0.05 0.1898
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0116 0.0415
Loa Loa (eye worm) glutaminase 0.0296 0.2589 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0197 0.0724
Brugia malayi hypothetical protein 0.0025 0.0051 0.0155
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0116 0.0415
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0075 0.0253
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0075 0.0249
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Loa Loa (eye worm) hypothetical protein 0.0039 0.0186 0.068
Brugia malayi RNase H family protein 0.029 0.2535 0.9789
Brugia malayi Pao retrotransposon peptidase family protein 0.0025 0.0051 0.0155
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0197 0.0722
Schistosoma mansoni phosphoglucomutase 0.029 0.2535 0.2527
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0777 0.2972
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0197 0.0722
Toxoplasma gondii ribonuclease HI protein 0.029 0.2535 1
Echinococcus granulosus peregrin 0.0032 0.0116 0.0415
Trypanosoma brucei RNA helicase, putative 0.1087 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0355 0.1336
Loa Loa (eye worm) hypothetical protein 0.0054 0.0327 0.1226
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0116 0.0415
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0025 0.0051 0.004
Schistosoma mansoni inositol monophosphatase 0.004 0.0197 0.0186
Schistosoma mansoni tar DNA-binding protein 0.0073 0.05 0.0489
Brugia malayi hypothetical protein 0.0025 0.0051 0.0155
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0054 0.0043
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0011 0.0691
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0777 1
Brugia malayi glutaminase DH11.1 0.0296 0.2589 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0777 0.2972
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0025 0.0051 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0075 0.4736
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0178 0.0649
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0025 0.0051 0.0159
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0025 0.0051 0.0159

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 7 % Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells at 10 uM ChEMBL. 19278853
Activity (binding) = 13 % Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment at 10 uM incubated 60 mins prior to LPI addition by beta-arrestin translocation assay ChEMBL. 23679955
Activity (binding) = 15 % Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane at 10 uM ChEMBL. 19278853
IC50 (binding) > 10 uM Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior to LPI addition by beta-arrestin translocation assay ChEMBL. 23679955
Ki (binding) >= 10 uM Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells ChEMBL. 19278853
Ki (binding) > 10 uM Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane ChEMBL. 19278853

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

2 literature references were collected for this gene.

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