Detailed information for compound 1147815

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 265.434 | Formula: C17H31NO
  • H donors: 1 H acceptors: 1 LogP: 4.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H]1CC[C@H]2[C@]3(N1[C@H](CO)CC3)CCCC2
  • InChi: 1S/C17H31NO/c1-2-3-7-15-9-8-14-6-4-5-11-17(14)12-10-16(13-19)18(15)17/h14-16,19H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1
  • InChiKey: BGBFXHCJNCIRRA-YVSFHVDLSA-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
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0276 0.0221
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0276 0.2639
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1047 0.1268
Schistosoma mansoni tar DNA-binding protein 0.0137 0.5854 0.7795
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.2735 0.3559
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.1766 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.6322 0.843
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.085 0.7439
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1047 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Loa Loa (eye worm) TAR-binding protein 0.0137 0.5854 0.7795
Trypanosoma cruzi metacaspase, putative 0.0031 0.085 0.7439
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1047 0.0793
Brugia malayi acetyltransferase, GNAT family protein 0.0171 0.7478 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1047 0.0793
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1047 0.0793
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0276 0.0221
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0031 0.085 0.1
Brugia malayi RNA recognition motif domain containing protein 0.0137 0.5854 0.7795
Trypanosoma cruzi metacaspase, putative 0.0031 0.085 0.7439
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0171 0.7478 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1047 1
Leishmania major metacaspase, putative 0.0031 0.085 0.2332
Mycobacterium ulcerans hypothetical protein 0.0035 0.1047 0.3135
Loa Loa (eye worm) acetyltransferase 0.0171 0.7478 1
Trypanosoma brucei metacaspase 5, putative 0.0031 0.085 0.8115
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1047 0.0793
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1047 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0276 0.0221
Onchocerca volvulus 0.0035 0.1047 1
Brugia malayi beta-lactamase 0.0035 0.1047 0.1268
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.1766 1
Echinococcus multilocularis tar DNA binding protein 0.0137 0.5854 0.7795
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.6322 0.8698
Loa Loa (eye worm) hypothetical protein 0.0031 0.085 0.1
Schistosoma mansoni tar DNA-binding protein 0.0137 0.5854 0.7795
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1047 0.0793
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0276 0.0221
Trypanosoma brucei metacaspase 0.0031 0.085 0.8115
Echinococcus granulosus histone acetyltransferase KAT2B 0.0166 0.7251 1
Trypanosoma brucei metacaspase MCA2 0.0031 0.085 0.8115
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Loa Loa (eye worm) hypothetical protein 0.0049 0.1686 0.2135
Mycobacterium ulcerans beta-lactamase 0.0035 0.1047 0.3135
Brugia malayi beta-lactamase family protein 0.0035 0.1047 0.1268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0147 0.6322 0.843
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1047 0.1268
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.085 0.1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1047 0.0793
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2735 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Echinococcus multilocularis dna polymerase eta 0.0019 0.0276 0.0221
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.2735 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1047 0.0793
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0031 0.085 0.1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0276 0.0221
Schistosoma mansoni tar DNA-binding protein 0.0137 0.5854 0.7795
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1047 0.1268
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1047 0.0793
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0031 0.085 0.1
Toxoplasma gondii ABC1 family protein 0.0035 0.1047 0.1047
Echinococcus multilocularis caspase 2 0.0031 0.085 0.1
Onchocerca volvulus 0.0035 0.1047 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Schistosoma mansoni caspase-7 (C14 family) 0.0031 0.085 0.1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1686 0.2135
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1047 0.5176
Loa Loa (eye worm) beta-lactamase 0.0035 0.1047 0.1268
Echinococcus multilocularis caspase 8 0.0031 0.085 0.1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1047 0.0793
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2735 1
Loa Loa (eye worm) RNA binding protein 0.0137 0.5854 0.7795
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0147 0.6322 0.843
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1047 0.1268
Trichomonas vaginalis esterase, putative 0.0035 0.1047 0.5176
Brugia malayi beta-lactamase family protein 0.0035 0.1047 0.1268
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0276 0.0221
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0137 0.5854 0.7795
Trypanosoma cruzi metacaspase, putative 0.0031 0.085 0.7439
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0276 0.0221
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.2735 0.2528
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0276 0.2639
Brugia malayi TAR-binding protein 0.0137 0.5854 0.7795
Trypanosoma brucei metacaspase MCA3 0.0031 0.085 0.8115
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.1766 0.2314
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1047 0.2156
Echinococcus granulosus caspase 2 0.0031 0.085 0.1031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.6322 0.843
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1047 0.5176
Schistosoma mansoni tar DNA-binding protein 0.0137 0.5854 0.7795
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.2735 0.3672
Trypanosoma cruzi metacaspase 5, putative 0.0031 0.085 0.7439
Mycobacterium ulcerans lipase LipD 0.0035 0.1047 0.3135
Schistosoma mansoni tar DNA-binding protein 0.0137 0.5854 0.7795
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.6322 0.843
Onchocerca volvulus 0.0035 0.1047 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0276 0.0221
Echinococcus multilocularis caspase 0.0031 0.085 0.1
Echinococcus granulosus caspase 8 0.0031 0.085 0.1031
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.1766 0.4858
Loa Loa (eye worm) hypothetical protein 0.0031 0.085 0.1
Mycobacterium tuberculosis Conserved protein 0.0035 0.1047 0.0793
Brugia malayi Cell death protein 3 precursor 0.0031 0.085 0.1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1047 0.1268
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1686 0.2135
Schistosoma mansoni caspase-3 (C14 family) 0.0031 0.085 0.1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.1766 0.4858
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0276 0.2639
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1047 0.5176
Mycobacterium leprae Probable lipase LipE 0.0035 0.1047 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Trypanosoma cruzi metacaspase, putative 0.0031 0.085 0.7439
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.2735 0.3559
Leishmania major hypothetical protein, conserved 0.0035 0.1047 0.3135
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0031 0.085 0.1031
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1047 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0046 0.1567 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.1766 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1047 0.3135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0958 0.1147
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1047 0.5176
Brugia malayi RNA binding protein 0.0137 0.5854 0.7795
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0958 0.1147
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0031 0.085 0.385
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0276 0.0228
Plasmodium falciparum histone acetyltransferase GCN5 0.0046 0.1567 1
Trypanosoma brucei Metacaspase-4 0.0031 0.085 0.8115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0147 0.6322 0.843
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0276 0.2639
Echinococcus granulosus dna polymerase kappa 0.0019 0.0276 0.0228
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0147 0.6322 0.8698
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0171 0.7478 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.085 0.385
Echinococcus granulosus tar DNA binding protein 0.0137 0.5854 0.8043
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2735 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Loa Loa (eye worm) hypothetical protein 0.0035 0.1047 0.1268
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.2735 0.3559
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1047 0.3135
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1047 0.1308
Trypanosoma brucei unspecified product 0.0019 0.0276 0.2639
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0147 0.6322 0.843
Echinococcus granulosus dna polymerase eta 0.0019 0.0276 0.0228
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.2735 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0276 0.2639
Echinococcus granulosus caspase 0.0031 0.085 0.1031
Schistosoma mansoni hypothetical protein 0.0033 0.0958 0.1147
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1686 0.2135
Loa Loa (eye worm) hypothetical protein 0.0019 0.0276 0.0221
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1047 0.5176
Entamoeba histolytica acetyltransferase, GNAT family 0.0046 0.1567 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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