Detailed information for compound 1704732

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.477 | Formula: C24H28O4
  • H donors: 2 H acceptors: 2 LogP: 3.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOC1CCCc2c1c(C#CC1(O)CCCCC1)c(o2)c1ccccc1
  • InChi: 1S/C24H28O4/c25-16-17-27-20-10-7-11-21-22(20)19(12-15-24(26)13-5-2-6-14-24)23(28-21)18-8-3-1-4-9-18/h1,3-4,8-9,20,25-26H,2,5-7,10-11,13-14,16-17H2
  • InChiKey: XPSJUVCKAGHSCN-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 TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) norepinephrine transporter 0.024 0.323 0.323
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.024 0.323 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0838 0.0838
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0041 0.0318 0.0326
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0318 0.0327
Loa Loa (eye worm) hypothetical protein 0.0077 0.0846 0.0846
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0322 0.0332
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0014 0.0014
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0318 0.0983
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0838 0.0838
Onchocerca volvulus 0.0041 0.0318 0.0304
Loa Loa (eye worm) hypothetical protein 0.024 0.323 0.323
Loa Loa (eye worm) hypothetical protein 0.024 0.323 0.323
Brugia malayi ELM2 domain containing protein 0.002 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.002 0.002
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.002 0.0021
Brugia malayi Myb-like DNA-binding domain containing protein 0.0685 0.9708 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Echinococcus granulosus hypothetical protein 0.0693 0.9837 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.024 0.323 0.3327
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.06 0.0618
Plasmodium falciparum transporter, putative 0.0041 0.0318 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0838 0.2595
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0838 0.0863
Echinococcus multilocularis conserved hypothetical protein 0.0686 0.9733 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0318 1
Brugia malayi TAR-binding protein 0.0076 0.0838 0.0863
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0318 0.0318
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Echinococcus multilocularis rest corepressor (corest) protein 0.002 0.0014 0.0014
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0041 0.0318 0.0323
Loa Loa (eye worm) hypothetical protein 0.0041 0.0322 0.0322
Echinococcus granulosus lysine specific histone demethylase 1A 0.0071 0.0758 0.0771
Loa Loa (eye worm) hypothetical protein 0.0685 0.9708 0.9708
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Echinococcus multilocularis mesoderm induction early response protein 1 0.002 0.0014 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.06 0.0618
Schistosoma mansoni hypothetical protein 0.0041 0.0322 0.0998
Loa Loa (eye worm) hypothetical protein 0.002 0.0014 0.0014
Echinococcus granulosus tar DNA binding protein 0.0076 0.0838 0.0852
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.002 0.0014 0.0043
Brugia malayi RNA binding protein 0.0076 0.0838 0.0863
Schistosoma mansoni zinc finger protein 0.002 0.0014 0.0044
Echinococcus multilocularis metastasis associated protein MTA1 0.002 0.0014 0.0014
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Echinococcus granulosus zinc finger protein 541 0.002 0.0014 0.0014
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0318 0.0983
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0041 0.0318 0.0326
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0041 0.0318 0.0326
Schistosoma mansoni rest corepressor (corest) protein 0.002 0.0014 0.0043
Brugia malayi Serotonin receptor 0.0465 0.65 0.6695
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Onchocerca volvulus 0.0077 0.0846 0.0833
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.06 0.06
Brugia malayi SWIRM domain containing protein 0.0077 0.0846 0.0871
Onchocerca volvulus 0.0041 0.0318 0.0304
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0071 0.0758 0.0779
Onchocerca volvulus CoRest homolog 0.0705 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Onchocerca volvulus 0.024 0.323 0.3221
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0318 0.0326
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0838 0.2595
Schistosoma mansoni sodium-dependent amino acid transporter 0.0041 0.0318 0.0983
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0318 0.0318
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0318 0.0327
Schistosoma mansoni rest corepressor (corest) protein 0.002 0.0014 0.0043
Loa Loa (eye worm) hypothetical protein 0.0071 0.0758 0.0758
Brugia malayi hypothetical protein 0.0041 0.0318 0.0327
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0318 0.0323
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0318 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0318 0.0323
Brugia malayi Myb-like DNA-binding domain containing protein 0.002 0.0014 0.0014
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0318 0.0327
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0838 0.0861
Onchocerca volvulus 0.0041 0.0318 0.0304
Loa Loa (eye worm) hypothetical protein 0.024 0.323 0.323
Echinococcus multilocularis zinc finger protein 541 0.002 0.0014 0.0014
Echinococcus multilocularis SANT, DNA binding 0.002 0.0014 0.0014
Echinococcus granulosus serotonin transporter 0.024 0.323 0.3284
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0838 0.2595
Loa Loa (eye worm) hypothetical protein 0.002 0.0014 0.0014
Loa Loa (eye worm) solute carrier family 6 member 4 0.024 0.323 0.323
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0041 0.0318 0.0323
Echinococcus granulosus REST corepressor 3 0.002 0.0014 0.0014
Plasmodium falciparum amino acid transporter, putative 0.0041 0.0318 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.0318 0.0326
Loa Loa (eye worm) GATA zinc finger family protein 0.002 0.0014 0.0014
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0318 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0071 0.0758 0.2347
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0041 0.0318 0.0327
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0041 0.0318 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0318 0.0983
Echinococcus granulosus SANT DNA binding 0.002 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.0318
Toxoplasma gondii hypothetical protein 0.0041 0.0318 1
Loa Loa (eye worm) serotonin transporter b 0.024 0.323 0.323
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.0318 0.0323
Plasmodium vivax amine transporter, putative 0.0041 0.0318 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Brugia malayi ELM2 domain containing protein 0.002 0.0014 0.0014
Loa Loa (eye worm) RNA binding protein 0.0076 0.0838 0.0838
Treponema pallidum sodium- and chloride- dependent transporter 0.024 0.323 0.5
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0318 1
Echinococcus granulosus metastasis associated protein MTA1 0.002 0.0014 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0838 0.2595
Loa Loa (eye worm) hypothetical protein 0.006 0.06 0.06
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.024 0.323 1
Toxoplasma gondii hypothetical protein 0.0041 0.0318 1
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.002 0.0014 0.0043
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0318 0.0983
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0838 0.2595
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.0318 0.0323
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0318 0.0983
Echinococcus granulosus mesoderm induction early response protein 1 0.002 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0071 0.0758 0.0758
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0 0.0001
Plasmodium vivax hypothetical protein 0.002 0.0014 0.0424
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.002 0.0014 0.0014
Echinococcus multilocularis serotonin transporter 0.024 0.323 0.3318
Echinococcus granulosus metastasis associated protein 1 mta1 0.002 0.0014 0.0014

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) 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.

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