Detailed information for compound 1123436

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.421 | Formula: C19H27NO6
  • H donors: 0 H acceptors: 3 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C(=C/C(=O)O[C@@H]1C[C@H]2C[C@@H]([C@H](C1)N2C)OC(=O)C=C(C)C)/C
  • InChi: 1S/C19H27NO6/c1-11(2)6-17(21)26-16-9-13-8-14(10-15(16)20(13)4)25-18(22)7-12(3)19(23)24-5/h6-7,13-16H,8-10H2,1-5H3/b12-7+/t13-,14+,15-,16-/m0/s1
  • InChiKey: HVFPWEGSYCUCEV-OOANKSPUSA-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
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.1367 0.1367
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.152 0.152
Trypanosoma brucei trypanothione reductase 0.0049 0.2064 0.6226
Trichomonas vaginalis ap endonuclease, putative 0.004 0.1479 0.9733
Brugia malayi glutathione reductase 0.0049 0.2064 0.2064
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1226 0.1226
Schistosoma mansoni hypothetical protein 0.0036 0.1226 0.1366
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.6111 0.8837
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.152 0.4584
Leishmania major trypanothione reductase 0.0049 0.2064 0.6226
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.152 0.1692
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.3315 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.1367 0.4125
Echinococcus granulosus transcription factor Dp 1 0.0039 0.1458 0.1458
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1367 0.4125
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.1367 0.8998
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.3219 0.2272
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.152 0.0782
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3315 1
Brugia malayi MH2 domain containing protein 0.0123 0.688 0.688
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.1367 0.1367
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0171 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1367 0.8998
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.6915 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.3315 0.3315
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.1367 0.1367
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3315 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1367 0.8998
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.1479 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.1479 0.7166
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.152 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.1479 0.7166
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.3315 0.3692
Mycobacterium tuberculosis Probable reductase 0.0111 0.6111 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.8072 0.8072
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.152 0.152
Trichomonas vaginalis ap endonuclease, putative 0.004 0.1479 0.9733
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.6111 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.6111 0.8837
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3219 0.3585
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.23 0.1224
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.1479 0.2139
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.152 1
Schistosoma mansoni alpha-glucosidase 0.0147 0.8455 0.9417
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.8072 0.899
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.688 0.6444
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3219 0.3585
Toxoplasma gondii thioredoxin reductase 0.0049 0.2064 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 1 1
Schistosoma mansoni alpha glucosidase 0.0038 0.1367 0.1523
Plasmodium vivax glutathione reductase, putative 0.0049 0.2064 1
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.1479 0.1479
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.152 0.152
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.23 0.23
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.152 0.4584
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.1479 0.0573
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.6915 1
Schistosoma mansoni alpha-glucosidase 0.0147 0.8455 0.9417
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.3315 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3315 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.3219 0.3219
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1367 0.8998
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.8072 0.8072
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1367 0.8998
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1367 0.4125
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.1367 0.6624
Onchocerca volvulus 0.0099 0.5322 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.152 0.0335
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2064 0.2064
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.1479 1
Loa Loa (eye worm) glutathione reductase 0.0049 0.2064 0.0955
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1367 0.8998
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.3219 0.3219
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.1367 0.0161
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.3315 0.2381
Toxoplasma gondii exonuclease III APE 0.004 0.1479 0.7166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.8072 0.8072
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3219 0.3585
Brugia malayi Thioredoxin reductase 0.0049 0.2064 0.2064
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.1479 0.4462
Loa Loa (eye worm) RNA binding protein 0.0066 0.3219 0.2272
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2064 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.1479 0.4462
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.152 0.152
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.152 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.152 0.1692
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.8072 0.8072
Echinococcus multilocularis lysosomal alpha glucosidase 0.0171 1 1
Brugia malayi TAR-binding protein 0.0066 0.3219 0.3219
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.3315 0.3315
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.1479 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.152 0.152
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1367 0.8998
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3219 0.3585
Plasmodium falciparum glutathione reductase 0.0049 0.2064 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.23 0.1224
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.1479 0.9733
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.152 0.4584
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.1479 0.1479
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.1479 0.4462
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.1479 0.1479
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.1367 0.8998
Schistosoma mansoni ap endonuclease 0.004 0.1479 0.1647
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2064 0.2985
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.1458 0.1458
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.8072 0.899
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.152 0.4584
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3219 0.3585
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2064 0.0955
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.152 0.152
Schistosoma mansoni ap endonuclease 0.004 0.1479 0.1647
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.688 0.6444
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.6915 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.8072 0.8072
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.23 0.23
Brugia malayi RNA binding protein 0.0066 0.3219 0.3219
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.152 0.152
Echinococcus granulosus lysosomal alpha glucosidase 0.0171 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2064 0.2064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.8072 0.899
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.1479 0.4462
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.6915 1
Trypanosoma brucei glucosidase, putative 0.0038 0.1367 0.4125
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.1479 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.004 0.152 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.8072 0.7803
Plasmodium falciparum thioredoxin reductase 0.0049 0.2064 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.3315 0.3315
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2064 0.6226
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.6111 0.8837
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.6111 0.8837
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1367 0.8998
Echinococcus multilocularis tar DNA binding protein 0.0066 0.3219 0.3219
Loa Loa (eye worm) TAR-binding protein 0.0066 0.3219 0.2272

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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