Detailed information for compound 1569336

Basic information

Technical information
  • TDR Targets ID: 1569336
  • Name: 7-[(4-propan-2-ylphenyl)carbamoyl]bicyclo[2.2 .2]oct-2-ene-8-carboxylic acid
  • MW: 313.391 | Formula: C19H23NO3
  • H donors: 2 H acceptors: 3 LogP: 3.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C2CCC(C1C(=O)O)C=C2)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C19H23NO3/c1-11(2)12-7-9-15(10-8-12)20-18(21)16-13-3-5-14(6-4-13)17(16)19(22)23/h3,5,7-11,13-14,16-17H,4,6H2,1-2H3,(H,20,21)(H,22,23)
  • InChiKey: ASPCYJVMDPAVEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(4-isopropylphenyl)carbamoyl]bicyclo[2.2.2]oct-2-ene-8-carboxylic acid
  • 7-[[(4-isopropylphenyl)amino]-oxomethyl]-8-bicyclo[2.2.2]oct-2-enecarboxylic acid
  • IVK/1023990
  • 3-[(4-isopropylanilino)carbonyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
  • MLS001179462
  • SMR000476928
  • Oprea1_855753

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Echinococcus multilocularis NADP dependent 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Schistosoma mansoni tar DNA-binding protein 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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 cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma brucei gambiense 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus multilocularis NADP dependent 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase, 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
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.1596 0.1596
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1596 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.4849 0.4849
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.5405 0.5405
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1592 0.1592
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.1592 0.1592
Loa Loa (eye worm) hypothetical protein 0.0012 0.0555 0.0555
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0555 0.0555
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.5405 0.5405
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1592 0.1592
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.1596 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0019 0.1592 0.1592
Echinococcus granulosus GPCR family 2 0.0019 0.1592 0.1592
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0555 0.0555
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0555 0.0555
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.1596 0.1596
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.1596 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.4849 0.4849
Loa Loa (eye worm) hypothetical protein 0.006 0.7615 0.7615
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.1596 0.1596
Schistosoma mansoni hypothetical protein 0.0019 0.1592 0.1592
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0555 0.0555
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1596 0.1596
Brugia malayi Isocitrate dehydrogenase 0.0019 0.1596 0.1596
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0036 0.4051 0.4051
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7615 0.7615
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1596 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1596 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1592 0.1592
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.1596 0.1596
Schistosoma mansoni hypothetical protein 0.0019 0.1592 0.1592
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi TAR-binding protein 0.0076 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.1596 0.1596
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1596 0.1596
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.1596 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.4827 0.4827
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7615 0.7615
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1592 0.1592
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.1596 0.1596
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1592 0.1592
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1592 0.1592
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7615 0.7615
Brugia malayi isocitrate dehydrogenase 0.0019 0.1596 0.1596
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4827 0.4827
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.1596 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.4849 0.4849
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.1596 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1592 0.1592
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.4452 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.4849 0.4849
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0555 0.0555
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.1596 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.4452 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1592 0.1592
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.1592 0.1592
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.1596 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4827 0.4827

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 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) 16.3601 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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