Detailed information for compound 760590

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.512 | Formula: C23H32N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccccc1C)Cc1ccc(cc1)OCCO
  • InChi: 1S/C23H32N2O3/c1-19-4-2-3-5-21(19)17-25-12-11-24(18-22(25)10-13-26)16-20-6-8-23(9-7-20)28-15-14-27/h2-9,22,26-27H,10-18H2,1H3
  • InChiKey: NFLDXCVZMWMXNG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0118 0.1259 0.1902
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0467 0.6622 0.6622
Brugia malayi RNA binding protein 0.0063 0.0413 0.0623
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0118 0.1259 0.1902
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0467 0.6622 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0118 0.1259 0.1902
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0467 0.6622 1
Echinococcus granulosus intermediate filament protein 0.0053 0.0267 0.0267
Echinococcus multilocularis lamin dm0 0.0053 0.0267 0.0267
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0467 0.6622 0.6622
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.015 0.015
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0118 0.1259 0.1259
Loa Loa (eye worm) hypothetical protein 0.0052 0.0252 0.0381
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.015 0.015
Onchocerca volvulus 0.0048 0.0183 0.6854
Treponema pallidum octaprenyl-diphosphate synthase 0.0118 0.1259 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0413 0.0413
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.5
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0118 0.1259 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0118 0.1259 0.1902
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.015 0.0226
Schistosoma mansoni survival motor neuron protein 0.0048 0.0183 0.0183
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0053 0.0267 0.0403
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0118 0.1259 0.1902
Echinococcus granulosus tar DNA binding protein 0.0063 0.0413 0.0413
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0467 0.6622 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.015 0.015
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.3045 0.3045
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0118 0.1259 0.1259
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0413 0.0623
Loa Loa (eye worm) polyprenyl synthetase 0.0118 0.1259 0.1902
Brugia malayi Polyprenyl synthetase family protein 0.0467 0.6622 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0467 0.6622 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.2966 0.448
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0118 0.1259 0.1259
Trypanosoma cruzi polyprenyl synthase, putative 0.0118 0.1259 0.1902
Schistosoma mansoni trans-prenyltransferase 0.0118 0.1259 0.1259
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0118 0.1259 0.1902
Onchocerca volvulus 0.0053 0.0267 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0539 0.0539
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0118 0.1259 0.1902
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0118 0.1259 1
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0118 0.1259 0.1902
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0118 0.1259 0.1902
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0467 0.6622 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0467 0.6622 0.6622
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0118 0.1259 0.1259
Onchocerca volvulus 0.0053 0.0267 1
Echinococcus granulosus lamin dm0 0.0053 0.0267 0.0267
Brugia malayi intermediate filament protein 0.0053 0.0267 0.0403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.015 0.015
Echinococcus granulosus lamin 0.0053 0.0267 0.0267
Loa Loa (eye worm) RNA binding protein 0.0063 0.0413 0.0623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.015 0.015
Loa Loa (eye worm) polyprenyl synthetase 0.0467 0.6622 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.1259
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0118 0.1259 0.1902
Brugia malayi hypothetical protein 0.0071 0.0539 0.0814
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0467 0.6622 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0413 0.0623
Leishmania major farnesyl pyrophosphate synthase 0.0467 0.6622 1
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0467 0.6622 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0267 0.0403
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0467 0.6622 1
Schistosoma mansoni hypothetical protein 0.0048 0.0183 0.0183
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0467 0.6622 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.015 0.015
Leishmania major solanesyl-diphosphate synthase, putative 0.0118 0.1259 0.1902
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0467 0.6622 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.1259
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.015 0.015
Echinococcus multilocularis lamin 0.0053 0.0267 0.0267
Schistosoma mansoni glutathione synthetase 0.0118 0.1259 0.1259
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0467 0.6622 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0118 0.1259 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0413 0.0413
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0118 0.1259 0.1902
Brugia malayi hypothetical protein 0.0234 0.3045 0.4599
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.1259
Loa Loa (eye worm) hypothetical protein 0.0234 0.3045 0.4599
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0413 0.0623
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0413 0.0413
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.3045 0.3045
Brugia malayi Polyprenyl synthetase family protein 0.0118 0.1259 0.1902
Echinococcus multilocularis microtubule associated protein 2 0.0688 1 1
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0118 0.1259 0.1902
Schistosoma mansoni intermediate filament proteins 0.0053 0.0267 0.0267
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0413 0.0413
Schistosoma mansoni lamin 0.0053 0.0267 0.0267
Schistosoma mansoni lamin 0.0053 0.0267 0.0267
Schistosoma mansoni microtubule-associated protein tau 0.0688 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0539 0.0539
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0413 0.0413
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0118 0.1259 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0267 0.0403
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0183 0.0276
Leishmania major polyprenyl synthase, putative 0.0118 0.1259 0.1902
Trypanosoma cruzi polyprenyl synthase, putative 0.0118 0.1259 0.1902
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0118 0.1259 0.1902
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0467 0.6622 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.015 0.0226
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0118 0.1259 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0467 0.6622 1
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0267 0.0403
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0539 0.0539
Schistosoma mansoni hypothetical protein 0.0071 0.0539 0.0539
Brugia malayi TAR-binding protein 0.0063 0.0413 0.0623
Echinococcus multilocularis musashi 0.0053 0.0267 0.0267

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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