Detailed information for compound 1557814

Basic information

Technical information
  • TDR Targets ID: 1557814
  • Name: 3-(1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-o ne
  • MW: 242.316 | Formula: C15H18N2O
  • H donors: 1 H acceptors: 1 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)CCc1c[nH]c2c1cccc2
  • InChi: 1S/C15H18N2O/c18-15(17-9-3-4-10-17)8-7-12-11-16-14-6-2-1-5-13(12)14/h1-2,5-6,11,16H,3-4,7-10H2
  • InChiKey: GIKVDHLSSAUXLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1H-indol-3-yl)-1-pyrrolidin-1-yl-propan-1-one
  • 3-(1H-indol-3-yl)-1-1-pyrrolidinylpropan-1-one
  • ZINC05392397
  • Z68129817

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Toxoplasma gondii isocitrate dehydrogenase 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
Trypanosoma congolense 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, 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 N terminus of cytosolic NADP-specific 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Trypanosoma brucei gambiense 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
Brugia malayi 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
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
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
Trypanosoma brucei isocitrate dehydrogenase, putative 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 Mitochondrial NADP-specific 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
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Trypanosoma cruzi isocitrate dehydrogenase, 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
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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Echinococcus multilocularis 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
Leishmania donovani 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0058 0.3834 0.4423
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.3208 0.2618
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.1651 0.1267
Onchocerca volvulus 0.0095 0.8288 1
Plasmodium vivax hypothetical protein, conserved 0.0033 0.08 0.3966
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1651 0.1136
Schistosoma mansoni ap endonuclease 0.0043 0.2018 0.1626
Echinococcus granulosus lamin dm0 0.0063 0.4389 0.413
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0027 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3208 0.3216
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1594 0.0863
Echinococcus multilocularis tar DNA binding protein 0.0072 0.5542 0.5337
Echinococcus granulosus lamin 0.0063 0.4389 0.413
Loa Loa (eye worm) hypothetical protein 0.003 0.044 0.0175
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3208 0.2896
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3208 0.2896
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0043 0.2018 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.3208 0.2896
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0043 0.2018 0.215
Echinococcus multilocularis musashi 0.0063 0.4389 0.413
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.1651 0.1267
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5542 0.6333
Echinococcus granulosus intermediate filament protein 0.0063 0.4389 0.413
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.08 0.0377
Loa Loa (eye worm) hypothetical protein 0.0095 0.8288 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5542 0.6333
Trichomonas vaginalis ap endonuclease, putative 0.0043 0.2018 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0043 0.2018 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0043 0.2018 0.1323
Trichomonas vaginalis ap endonuclease, putative 0.0043 0.2018 0.5
Echinococcus granulosus L aminoadipate semialdehyde 0.0095 0.8288 0.8209
Brugia malayi intermediate filament protein 0.0063 0.4389 0.3901
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0043 0.2018 1
Schistosoma mansoni ap endonuclease 0.0043 0.2018 0.1626
Onchocerca volvulus 0.0063 0.4389 0.4792
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0043 0.2018 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.5106 0.6016
Brugia malayi jmjC domain containing protein 0.004 0.1651 0.0925
Brugia malayi Intermediate filament tail domain containing protein 0.0063 0.4389 0.3901
Mycobacterium leprae conserved hypothetical protein 0.0027 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0043 0.2018 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5542 0.6333
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.08 0.0377
Echinococcus multilocularis lamin 0.0063 0.4389 0.413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3208 0.3216
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0043 0.2018 0.165
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0043 0.2018 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0043 0.2018 0.165
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5542 0.6333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.3208 0.3216
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0043 0.2018 1
Toxoplasma gondii exonuclease III APE 0.0043 0.2018 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.5542 0.6563
Loa Loa (eye worm) hypothetical protein 0.0057 0.3689 0.4242
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.2384 0.2033
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.5542 0.5155
Schistosoma mansoni hypothetical protein 0.004 0.1594 0.1061
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.1651 0.1136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.3208 0.2896
Schistosoma mansoni tar DNA-binding protein 0.0072 0.5542 0.6333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.3834 0.4423
Loa Loa (eye worm) TAR-binding protein 0.0072 0.5542 0.6563
Loa Loa (eye worm) intermediate filament protein 0.0063 0.4389 0.5118
Schistosoma mansoni lamin 0.0063 0.4389 0.4792
Onchocerca volvulus 0.0063 0.4389 0.4792
Schistosoma mansoni lamin 0.0063 0.4389 0.4792
Echinococcus multilocularis lamin dm0 0.0063 0.4389 0.413
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.08 0.3966
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0043 0.2018 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0043 0.2018 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.08 0.3966
Loa Loa (eye worm) hypothetical protein 0.0062 0.4249 0.4944
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0095 0.8288 0.8139
Brugia malayi RNA binding protein 0.0072 0.5542 0.5155
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.3208 0.3641
Loa Loa (eye worm) hypothetical protein 0.004 0.1594 0.162
Loa Loa (eye worm) hypothetical protein 0.0063 0.4389 0.5118
Loa Loa (eye worm) RNA binding protein 0.0072 0.5542 0.6563
Plasmodium falciparum phd finger protein, putative 0.0033 0.08 0.3966
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0043 0.2018 1
Echinococcus multilocularis peregrin 0.0033 0.08 0.0377
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0095 0.8288 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.08 0.0626
Echinococcus granulosus jumonji domain containing protein 0.0046 0.2384 0.2033
Echinococcus multilocularis L aminoadipate semialdehyde 0.0095 0.8288 0.8209
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0034 0.0845 0.0682
Echinococcus granulosus peregrin 0.0033 0.08 0.0377
Echinococcus granulosus tar DNA binding protein 0.0072 0.5542 0.5337
Schistosoma mansoni jumonji domain containing protein 0.0087 0.7278 0.8651
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.3834 0.3297
Brugia malayi cytoplasmic intermediate filament protein 0.0034 0.0845 0.0049
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0063 0.4389 0.5118
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.1651 0.1691
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0043 0.2018 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0043 0.2018 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.3834 0.3297
Schistosoma mansoni intermediate filament proteins 0.0063 0.4389 0.4792
Brugia malayi TAR-binding protein 0.0072 0.5542 0.5155
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.08 0.0626

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 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) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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