Detailed information for compound 1806133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.454 | Formula: C19H31NO3
  • H donors: 0 H acceptors: 1 LogP: 3.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1C=C(CN2CCC(CC2)C)C(=O)C(O1)C1CCCCC1
  • InChi: 1S/C19H31NO3/c1-14-8-10-20(11-9-14)13-16-12-17(22-2)23-19(18(16)21)15-6-4-3-5-7-15/h12,14-15,17,19H,3-11,13H2,1-2H3
  • InChiKey: IROJOQYYWSZCRV-UHFFFAOYSA-N  

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 leprae probable isochorismate synthase EntC 0.0067 0.0052 0.5
Trichomonas vaginalis AGC family protein kinase 0.0063 0.0042 0.8004
Loa Loa (eye worm) phosphoglycerate mutase 0.0067 0.0052 0.0052
Brugia malayi Cell death protein 3 precursor 0.0058 0.0027 0.5268
Toxoplasma gondii aurora kinase 0.0063 0.0042 0.8004
Mycobacterium leprae conserved hypothetical protein 0.0067 0.0052 0.5
Brugia malayi serine/threonine-protein kinase 6 0.0063 0.0042 0.8004
Toxoplasma gondii phosphoglycerate mutase family protein 0.0067 0.0052 1
Echinococcus multilocularis caspase 0.0215 0.0428 0.0402
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0067 0.0052 0.0025
Echinococcus granulosus phosphoglycerate mutase 0.0067 0.0052 0.0025
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0067 0.0052 0.0025
Leishmania major phosphoglycerate mutase family member 5, putative 0.0067 0.0052 0.0025
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3914 0.9829 0.9829
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1699 0.4199 0.4183
Trypanosoma brucei metacaspase MCA2 0.0058 0.0027 0.0027
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.3914 0.9829 0.9829
Echinococcus granulosus caspase 0.0215 0.0428 0.0402
Echinococcus multilocularis aurora kinase A 0.0063 0.0042 0.0014
Schistosoma mansoni phosphoglycerate mutase 0.0067 0.0052 0.0025
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3981 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0067 0.0052 0.5
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0067 0.0052 0.0025
Loa Loa (eye worm) AUR protein kinase 0.0063 0.0042 0.0042
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0067 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0052 0.0052
Onchocerca volvulus 0.3981 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0052 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Leishmania major phosphoglycerate mutase, putative 0.0067 0.0052 0.0025
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Schistosoma mansoni phosphoglycerate mutase 0.0067 0.0052 0.0025
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0063 0.0042 0.0014
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0067 0.0052 0.5
Treponema pallidum phosphoglyceromutase 0.0067 0.0052 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0215 0.0428 0.0402
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0067 0.0052 0.0052
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0067 0.0052 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Echinococcus multilocularis caspase 3 0.0158 0.0282 0.0255
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0025
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Brugia malayi serine/threonine protein kinase 6 0.0063 0.0042 0.8004
Loa Loa (eye worm) AUR protein kinase 0.0063 0.0042 0.0042
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0052
Entamoeba histolytica protein kinase , putative 0.0063 0.0042 0.0071
Trypanosoma cruzi aurora B kinase, putative 0.0063 0.0042 0.0014
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0052
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Mycobacterium tuberculosis Conserved protein 0.0067 0.0052 0.5
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0067 0.0052 0.0025
Onchocerca volvulus 0.0067 0.0052 0.0025
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3981 1 1
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Echinococcus granulosus phosphoglycerate mutase 0.0067 0.0052 0.0025
Toxoplasma gondii phosphoglycerate mutase family protein 0.0067 0.0052 1
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Onchocerca volvulus 0.0067 0.0052 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.3981 1 1
Onchocerca volvulus Protein UBASH3A homolog 0.0067 0.0052 0.0025
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3981 1 1
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0067 0.0052 0.0025
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0063 0.0042 0.0071
Toxoplasma gondii phosphoglycerate mutase family protein 0.0067 0.0052 1
Echinococcus granulosus aurora kinase A 0.0063 0.0042 0.0014
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3981 1 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.235 0.5853 1
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0067 0.0052 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Trypanosoma brucei glycerolphosphate mutase, putative 0.0067 0.0052 0.0052
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0025
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0063 0.0042 0.0071
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0063 0.0042 0.0071
Trypanosoma brucei phosphoglycerate mutase, putative 0.0067 0.0052 0.0052
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0067 0.0052 0.0025
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0067 0.0052 0.0089
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0067 0.0052 1
Trichomonas vaginalis AGC family protein kinase 0.0063 0.0042 0.8004
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0067 0.0052 0.0052
Trypanosoma brucei Metacaspase-4 0.0058 0.0027 0.0027
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0063 0.0042 0.0014
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1699 0.4199 0.4183
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0067 0.0052 1
Echinococcus granulosus caspase 3 0.0158 0.0282 0.0255
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3914 0.9829 0.9829
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0063 0.0042 0.5782
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0067 0.0052 0.0089
Plasmodium falciparum serine/threonine protein kinase, putative 0.0063 0.0042 0.5782
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3981 1 1
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0067 0.0052 0.0025
Leishmania major hypothetical protein, unknown function 0.0067 0.0052 0.0025
Schistosoma mansoni protein kinase 0.0063 0.0042 0.0014
Leishmania major phosphoglycerate mutase protein, putative 0.0067 0.0052 0.0025
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0025
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0067 0.0052 0.0025
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3914 0.9829 0.9829
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0067 0.0052 0.5
Leishmania major hypothetical protein, conserved 0.0067 0.0052 0.0025
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0042 0.0014
Entamoeba histolytica protein kinase, putative 0.0063 0.0042 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0067 0.0052 0.0025
Onchocerca volvulus Protein UBASH3A homolog 0.0067 0.0052 0.0025
Entamoeba histolytica protein kinase domain containing protein 0.0063 0.0042 0.0071
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0067 0.0052 0.0025
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0067 0.0052 0.0025
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0058 0.0027 0.5268
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Echinococcus granulosus phosphoglycerate mutase 0.0067 0.0052 0.0025
Brugia malayi UBASH3A protein homolog 0.0067 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0027 0.0027
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0067 0.0052 0.0025
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0058 0.0027 0.5268
Leishmania major hypothetical protein, conserved 0.0067 0.0052 0.0025
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0067 0.0052 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0067 0.0052 1
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0067 0.0052 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0067 0.0052 0.0025
Mycobacterium ulcerans hypothetical protein 0.235 0.5853 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0025
Mycobacterium leprae conserved hypothetical protein 0.0067 0.0052 0.5
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0067 0.0052 0.0025
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0067 0.0052 0.0089
Plasmodium falciparum phosphoglycerate mutase, putative 0.0067 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.2282 0.5682 0.5682
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0067 0.0052 0.5
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0067 0.0052 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0215 0.0428 0.0402
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0067 0.0052 0.0025
Leishmania major protein kinase, putative 0.0063 0.0042 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0052 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0067 0.0052 0.5
Mycobacterium tuberculosis Conserved protein 0.0067 0.0052 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1699 0.4199 0.4183
Loa Loa (eye worm) hypothetical protein 0.0067 0.0052 0.0052
Leishmania major glycerolphosphate mutase, putative 0.0067 0.0052 0.0025
Giardia lamblia Hypothetical protein 0.235 0.5853 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0067 0.0052 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Brugia malayi serine/threonine kinase 12 0.0063 0.0042 0.8004
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0215 0.0428 0.0402
Brugia malayi phosphoglycerate mutase family protein 0.0067 0.0052 1
Onchocerca volvulus Protein UBASH3A homolog 0.0067 0.0052 0.0025
Giardia lamblia Hypothetical protein 0.235 0.5853 1
Mycobacterium leprae conserved hypothetical protein 0.0067 0.0052 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0067 0.0052 0.0025
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0058 0.0027 0.5268
Trypanosoma brucei metacaspase MCA3 0.0058 0.0027 0.0027
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Leishmania major hypothetical protein, conserved 0.0067 0.0052 0.0025
Onchocerca volvulus Protein UBASH3A homolog 0.0067 0.0052 0.0025
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Trypanosoma brucei aurora B kinase 0.0063 0.0042 0.0042
Entamoeba histolytica protein kinase, putative 0.0063 0.0042 0.0071
Loa Loa (eye worm) hypothetical protein 0.0067 0.0052 0.0052
Schistosoma mansoni caspase-3 (C14 family) 0.0215 0.0428 0.0402
Trypanosoma brucei metacaspase 5, putative 0.0058 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0067 0.0052 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0063 0.0042 0.8004
Mycobacterium leprae Possible phosphoglycerate mutase 0.0067 0.0052 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0067 0.0052 1
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0067 0.0052 0.0025
Trypanosoma brucei metacaspase 0.0058 0.0027 0.0027
Loa Loa (eye worm) AUR protein kinase 0.0063 0.0042 0.0042
Plasmodium falciparum phosphoglucomutase-2 0.0067 0.0052 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1699 0.4199 0.4199
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0027 0.5268
Plasmodium vivax phosphoglucomutase-2, putative 0.0067 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0027 0.0027
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0067 0.0052 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0067 0.0052 1
Plasmodium vivax phosphoglycerate mutase, putative 0.0067 0.0052 1
Onchocerca volvulus 0.0067 0.0052 0.0025
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0058 0.0027 0.5268
Brugia malayi phosphoglycerate mutase family protein 0.0067 0.0052 1
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0067 0.0052 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0067 0.0052 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3914 0.9829 0.9829
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0058 0.0027 0.5268
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0067 0.0052 0.0052
Toxoplasma gondii phosphoglycerate mutase 0.0067 0.0052 1
Schistosoma mansoni 6-phosphofructokinase 0.3981 1 1
Trichomonas vaginalis AGC family protein kinase 0.0063 0.0042 0.8004
Echinococcus multilocularis phosphoglycerate mutase 0.0067 0.0052 0.0025
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.235 0.5853 1

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.
 
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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