Detailed information for compound 267898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.287 | Formula: C11H20N2O5
  • H donors: 3 H acceptors: 4 LogP: -2.91 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[C@H](NC(=O)[C@@H](CC(=O)O)N)COC(=O)C
  • InChi: 1S/C11H20N2O5/c1-3-4-8(6-18-7(2)14)13-11(17)9(12)5-10(15)16/h8-9H,3-6,12H2,1-2H3,(H,13,17)(H,15,16)/t8-,9+/m0/s1
  • InChiKey: ROYWFMACUXPQPW-DTWKUNHWSA-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
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0075 0.0741 0.073
Toxoplasma gondii acyltransferase domain-containing protein 0.0075 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0363 0.1079
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0498 0.1525
Loa Loa (eye worm) hypothetical protein 0.008 0.0808 0.2446
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0075 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0328 0.0972
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0498 0.1525
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0075 0.0741 1
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0075 0.0741 0.5
Brugia malayi Acyltransferase family protein 0.0075 0.0741 0.2266
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0075 0.0741 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0093 0.0082
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.066 0.0649
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0075 0.0741 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.066 0.8668
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0021 0.0028
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0645 0.0634
Brugia malayi hypothetical protein 0.0267 0.3268 1
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0075 0.0741 0.073
Loa Loa (eye worm) acyltransferase 0.0075 0.0741 0.2239
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0264 0.0809
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0498 0.1495
Schistosoma mansoni hypothetical protein 0.0023 0.0065 0.0053
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0093 0.0082
Schistosoma mansoni microtubule-associated protein tau 0.078 1 1
Echinococcus granulosus Msx-like 0.0072 0.07 0.069
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Loa Loa (eye worm) hypothetical protein 0.0056 0.0498 0.1495
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0645 0.0634
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0281
Schistosoma mansoni hypothetical protein 0.0054 0.0474 0.0463
Brugia malayi Bromodomain containing protein 0.0085 0.0872 0.2667
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.3268 0.326
Schistosoma mansoni hypothetical protein 0.0038 0.0264 0.0253
Schistosoma mansoni hypothetical protein 0.059 0.7504 0.7501
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0474 0.1451
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.066 0.0649
Brugia malayi PHD-finger family protein 0.0028 0.0128 0.0392
Loa Loa (eye worm) hypothetical protein 0.0075 0.0741 0.2239
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Brugia malayi Bromodomain containing protein 0.0043 0.0327 0.1
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0072 0.07 0.5019
Treponema pallidum lysophosphatidic acid acyltransferase 0.0075 0.0741 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0264 0.0776
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0093 0.0082
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0372
Echinococcus multilocularis microtubule associated protein 2 0.078 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0391 0.1166
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0065 0.0163
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.066 0.0649
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0281
Schistosoma mansoni transcription factor 0.0072 0.07 0.069
Echinococcus multilocularis zinc finger protein 0.0022 0.0049 0.0037
Loa Loa (eye worm) hypothetical protein 0.0075 0.0741 0.2239
Schistosoma mansoni zinc finger protein 0.0022 0.0049 0.0037
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0075 0.0741 1
Schistosoma mansoni survival motor neuron protein 0.0054 0.0474 0.0463
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0075 0.0741 1
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.3268 0.326
Onchocerca volvulus 0.0054 0.0474 0.5
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0075 0.0741 0.073
Loa Loa (eye worm) hypothetical protein 0.0267 0.3268 1
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0075 0.0741 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.066 0.8668
Echinococcus multilocularis homeobox 0.0072 0.07 0.069
Loa Loa (eye worm) hypothetical protein 0.0072 0.07 0.2115
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.066 0.0649
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Schistosoma mansoni bromodomain containing protein 0.0071 0.0698 0.0687
Brugia malayi hypothetical protein 0.0028 0.0133 0.0406
Echinococcus granulosus zinc finger protein 0.0022 0.0049 0.0037

Activities

Activity type Activity value Assay description Source Reference
Log SP (functional) = 0.66 Sweet potency as logarithm of sweet potency (log SP) relative to sucrose ChEMBL. 7241515

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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