Detailed information for compound 1713881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 445.555 | Formula: C30H27N3O
  • H donors: 1 H acceptors: 2 LogP: 6.76 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(n1c(nc2c1cccc2)c1cccc2c1cccc2)c1ccccc1)NC1CCCC1
  • InChi: 1S/C30H27N3O/c34-30(31-23-15-5-6-16-23)28(22-12-2-1-3-13-22)33-27-20-9-8-19-26(27)32-29(33)25-18-10-14-21-11-4-7-17-24(21)25/h1-4,7-14,17-20,23,28H,5-6,15-16H2,(H,31,34)
  • InChiKey: WLIUFKTUDOYJBG-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 isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 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 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
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
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
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
Trypanosoma congolense isocitrate dehydrogenase, putative 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
Trypanosoma congolense isocitrate dehydrogenase, 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
Candida albicans C terminus of 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni NADP-specific 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 multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase 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
Echinococcus granulosus 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 N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Loa Loa (eye worm) TAR-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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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 brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii isocitrate dehydrogenase 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Theileria parva isocitrate dehydrogenase (NADP+), 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
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 0.0076 0.3285 0.3273
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0164 0.0499
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Brugia malayi RNA binding protein 0.0076 0.3285 0.3273
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 0.0447
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0164 0.0499
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0164 0.0447
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.056 0.0543
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.056 0.166
Schistosoma mansoni dishevelled 0.0011 0.0164 0.0499
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0164 0.0499
Echinococcus granulosus tar DNA binding protein 0.0076 0.3285 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 0.0447
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.056 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.056 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.056 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.056 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.056 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.056 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3285 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0164 0.0146
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.056 0.166
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 0.0447
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.056 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.056 0.166
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0164 0.0447
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.056 0.166
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Brugia malayi DIX domain containing protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0164 0.0146
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0018 0.0054
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.056 0.166
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0008 0.0018 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.056 0.166
Brugia malayi Isocitrate dehydrogenase 0.0019 0.056 0.0543
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica hypothetical protein 0.0008 0.0018 0.5
Schistosoma mansoni dishevelled 0.0011 0.0164 0.0499
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3285 0.3273
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 0.0447
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.056 0.1705
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 0.0447
Onchocerca volvulus 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3285 0.3273
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Brugia malayi isocitrate dehydrogenase 0.0019 0.056 0.0543
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 0.0447
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.056 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.3285 0.3273
Schistosoma mansoni dep domain containing protein 0.0011 0.0164 0.0499
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 0.0447
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 0.0447
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0164 0.0146
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.056 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3285 0.3273
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.056 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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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