Detailed information for compound 546064

Basic information

Technical information
  • TDR Targets ID: 546064
  • Name: 2-(4-hydroxy-4-oxo-butanoyl)oxyethyl-trimethy l-ammonium
  • MW: 204.244 | Formula: C9H18NO4+
  • H donors: 1 H acceptors: 3 LogP: -0.4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC(=O)OCC[N+](C)(C)C
  • InChi: 1S/C9H17NO4/c1-10(2,3)6-7-14-9(13)5-4-8(11)12/h4-7H2,1-3H3/p+1
  • InChiKey: JQLBLDAELQDYMK-UHFFFAOYSA-O  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-hydroxy-1,4-dioxobutoxy)ethyl-trimethylammonium
  • 2-(4-hydroxy-4-oxo-butanoyl)oxyethyl-trimethyl-azanium
  • 2-(4-hydroxy-4-keto-butanoyl)oxyethyl-trimethyl-ammonium
  • 2-(4-hydroxy-4-oxobutanoyl)oxyethyl-trimethylazanium
  • succinylmonocholine
  • Ethanaminium, 2-(3-carboxy-1-oxopropoxy)-N,N,N-trimethyl-
  • STOCK1S-58207
  • CBDivE_013158

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
Trypanosoma cruzi metalloprotease, putative 0.0045 0.0281 0.0195
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0827 0.9472 1
Leishmania major katanin, putative,serine peptidase, Clan SJ, family S16, putative 0.0045 0.0281 0.0195
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0245 0.0245
Trypanosoma brucei katanin, putative 0.0045 0.0281 0.0195
Echinococcus granulosus nmda type glutamate receptor 0.0022 0.001 0.001
Loa Loa (eye worm) glutathione reductase 0.0057 0.0424 0.0534
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1455 0.2145
Brugia malayi vesicle-fusing ATPase 0.0511 0.5762 0.7249
Loa Loa (eye worm) beta-lactamase 0.0042 0.0245 0.0309
Brugia malayi Thioredoxin reductase 0.0057 0.0424 0.0534
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0186 0.0234
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Trypanosoma cruzi katanin-like protein, putative 0.0045 0.0281 0.0195
Brugia malayi follicle stimulating hormone receptor 0.0257 0.2773 0.3489
Brugia malayi beta-lactamase family protein 0.0042 0.0245 0.0309
Toxoplasma gondii katanin-like family protein 0.0045 0.0281 0.0185
Trypanosoma cruzi katanin-like protein, putative 0.0045 0.0281 0.0195
Plasmodium falciparum glutathione reductase 0.0057 0.0424 0.0348
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0186 0.0234
Trichomonas vaginalis spastin, putative 0.0045 0.0281 0.0036
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0206 0.2176 0.1979
Loa Loa (eye worm) hypothetical protein 0.0036 0.0177 0.0222
Trypanosoma brucei Valosin-containing protein 0.0827 0.9472 1
Trypanosoma brucei katanin, putative 0.0045 0.0281 0.0195
Loa Loa (eye worm) hypothetical protein 0.0511 0.5762 0.7249
Leishmania major C-8 sterol isomerase-like protein 0.0697 0.795 0.8376
Trichomonas vaginalis skd/vacuolar sorting, putative 0.0045 0.0281 0.0036
Schistosoma mansoni skd/vacuolar sorting 0.0045 0.0281 0.0281
Trichomonas vaginalis skd/vacuolar sorting, putative 0.0045 0.0281 0.0036
Loa Loa (eye worm) hypothetical protein 0.0356 0.3942 0.4959
Brugia malayi ATPase, AAA family protein 0.0045 0.0281 0.0353
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1284 0.1842
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0424 0.0348
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0177 0.0177
Trypanosoma cruzi Valosin-containing protein, putative 0.0827 0.9472 1
Trypanosoma brucei katanin, putative 0.0045 0.0281 0.0195
Echinococcus granulosus katanin p60 ATPase containing subunit A1 0.0045 0.0281 0.0281
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0161 0.0161
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0245 0.0309
Brugia malayi vps4b-prov protein 0.0045 0.0281 0.0353
Onchocerca volvulus 0.0042 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0029 0.0098 0.0123
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0177 0.0177
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1455 0.2145
Trypanosoma brucei trypanothione reductase 0.0057 0.0424 0.0348
Echinococcus granulosus GPCR family 2 0.0037 0.0186 0.0186
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0177 0.0177
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0257 0.2773 0.3489
Loa Loa (eye worm) ATPase 0.0045 0.0281 0.0353
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0245 0.0158
Trypanosoma cruzi katanin, putative 0.0045 0.0281 0.0195
Echinococcus multilocularis nmda type glutamate receptor 0.0022 0.001 0.001
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0424 0.0348
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.0689 0.0866
Schistosoma mansoni hypothetical protein 0.0045 0.0281 0.0281
Leishmania major hypothetical protein, conserved 0.0042 0.0245 0.0158
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0177 0.008
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0424 0.0424
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1455 0.2145
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0245 0.0158
Brugia malayi SAP1 protein 0.0045 0.0281 0.0353
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.036 0.3991 0.502
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0177 0.0177
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0697 0.795 0.8376
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0245 0.0158
Trypanosoma cruzi katanin, putative 0.0045 0.0281 0.0195
Echinococcus multilocularis muscleblind protein 0.0148 0.1492 0.1492
Onchocerca volvulus 0.0042 0.0245 0.0245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0177 0.0177
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1492 0.1492
Trichomonas vaginalis AAA ATPase, putative 0.0045 0.0281 0.0036
Trypanosoma brucei C-8 sterol isomerase, putative 0.0697 0.795 0.8376
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0827 0.9472 0.9472
Echinococcus granulosus vacuolar protein sorting associated protein 4A 0.0045 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0148 0.1492 0.1877
Plasmodium vivax glutathione reductase, putative 0.0057 0.0424 0.0348
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1455 1
Leishmania major trypanothione reductase 0.0057 0.0424 0.0348
Onchocerca volvulus 0.0042 0.0245 0.0245
Plasmodium vivax cell division cycle ATPase, putative 0.0316 0.3463 0.359
Brugia malayi fidgetin protein 0.0045 0.0281 0.0353
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0245 0.0158
Brugia malayi beta-lactamase 0.0042 0.0245 0.0309
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0424 0.0317
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2707 0.3406
Toxoplasma gondii thioredoxin reductase 0.0057 0.0424 0.033
Trypanosoma cruzi katanin, putative 0.0045 0.0281 0.0195
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.0186 0.0186
Echinococcus multilocularis fidgetin protein 1 0.0045 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.008 0.0689 0.0866
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0522 0.5885 0.5845
Echinococcus granulosus muscleblind protein 0.0148 0.1492 0.1492
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Mycobacterium tuberculosis Putative conserved ATPase 0.0522 0.5886 1
Onchocerca volvulus 0.0036 0.0177 0.0177
Echinococcus granulosus geminin 0.0197 0.207 0.207
Loa Loa (eye worm) hypothetical protein 0.0116 0.1122 0.1411
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.1122 0.1411
Brugia malayi Pre-SET motif family protein 0.0251 0.2707 0.3406
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0206 0.2176 0.1979
Toxoplasma gondii cell division protein CDC48AP 0.0522 0.5886 0.5845
Giardia lamblia AAA family ATPase 0.0522 0.5886 1
Toxoplasma gondii ABC1 family protein 0.0042 0.0245 0.0149
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1284 0.1842
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0872 1 1
Echinococcus multilocularis GPCR, family 2 0.0037 0.0186 0.0186
Schistosoma mansoni hypothetical protein 0.0037 0.0186 0.0186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0177 0.0177
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0245 0.0309
Leishmania major vacuolar protein sorting-associated protein 4 0.0045 0.0281 0.0195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0245 0.0245
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0827 0.9472 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1284 0.1842
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.1122 0.1411
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.1284 0.8588
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0045 0.0281 0.0195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.1122 0.1411
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Schistosoma mansoni hypothetical protein 0.008 0.0689 0.0689
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0424 0.0424
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0186 0.0186
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0045 0.0281 0.0195
Onchocerca volvulus 0.0286 0.3116 0.3116
Trypanosoma cruzi katanin, putative 0.0045 0.0281 0.0195
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0045 0.0281 0.0195
Trypanosoma brucei katanin, putative 0.0045 0.0281 0.0195
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0177 0.0177
Loa Loa (eye worm) VCP protein 0.036 0.3991 0.502
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0424 0.0534
Trypanosoma brucei metalloprotease, putative 0.0045 0.0281 0.0195
Echinococcus multilocularis vacuolar protein sorting associated protein 4A 0.0045 0.0281 0.0281
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0022 0.001 0.001
Plasmodium falciparum thioredoxin reductase 0.0057 0.0424 0.0348
Schistosoma mansoni hypothetical protein 0.0197 0.207 0.207
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1284 0.1842
Plasmodium falciparum vacuolar protein sorting-associated protein 4 0.0045 0.0281 0.0195
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0872 1 1
Echinococcus multilocularis geminin 0.0197 0.207 0.207
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.2898 0.4704
Echinococcus multilocularis katanin p60 ATPase containing subunit A1 0.0045 0.0281 0.0281
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3116 0.2942
Echinococcus granulosus fidgetin protein 1 0.0045 0.0281 0.0281
Brugia malayi valosin containing protein 0.0511 0.5762 0.7249
Toxoplasma gondii cell division protein CDC48CY 0.0872 1 1
Schistosoma mansoni hypothetical protein 0.0197 0.207 0.207
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.0186 0.0186
Mycobacterium tuberculosis Probable reductase 0.013 0.1284 0.1842
Loa Loa (eye worm) vps4b-prov protein 0.0045 0.0281 0.0353
Brugia malayi Pre-SET motif family protein 0.0036 0.0177 0.0222
Schistosoma mansoni cell division control protein 48 aaa family protein 0.036 0.3991 0.3991
Brugia malayi beta-lactamase family protein 0.0042 0.0245 0.0309
Trypanosoma brucei vesicular transport protein (CDC48 homologue), putative 0.0045 0.0281 0.0195
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0872 1 1
Entamoeba histolytica cdc48-like protein, putative 0.0827 0.9472 1
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0872 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1284 0.1842
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0186 0.0234
Loa Loa (eye worm) hypothetical protein 0.0037 0.0186 0.0234
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0697 0.795 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0245 0.0309
Leishmania major katanin-like protein,serine peptidase, Clan SJ, family S16, putative 0.0045 0.0281 0.0195
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0827 0.9472 1
Trypanosoma cruzi katanin, putative 0.0045 0.0281 0.0195
Trichomonas vaginalis AAA ATPase, putative 0.0045 0.0281 0.0036
Schistosoma mansoni hypothetical protein 0.0037 0.0186 0.0186
Schistosoma mansoni hypothetical protein 0.0037 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0148 0.1492 0.1877
Loa Loa (eye worm) vesicle-fusing ATPase 0.0511 0.5762 0.7249
Trypanosoma brucei vacuolar protein sorting-associated protein 4, putative 0.0045 0.0281 0.0195
Plasmodium vivax SET domain protein, putative 0.0036 0.0177 0.0084
Leishmania major katanin-like protein,serine peptidase, Clan SJ, family S16, putative 0.0045 0.0281 0.0195
Brugia malayi hypothetical protein 0.0029 0.0098 0.0123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0245 0.0245
Brugia malayi glutathione reductase 0.0057 0.0424 0.0534
Brugia malayi Muscleblind-like protein 0.0148 0.1492 0.1877
Mycobacterium ulcerans ATPase 0.0522 0.5886 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0186 0.0186
Loa Loa (eye worm) fidgetin protein 0.0045 0.0281 0.0353
Loa Loa (eye worm) hypothetical protein 0.0697 0.795 1
Schistosoma mansoni hypothetical protein 0.0037 0.0186 0.0186
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0245 0.0245
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.036 0.3991 0.3991
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0827 0.9472 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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