Detailed information for compound 267581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.313 | Formula: C12H22N2O5
  • H donors: 3 H acceptors: 4 LogP: -2.47 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C[C@H](NC(=O)[C@@H](CC(=O)O)N)COC(=O)C)C
  • InChi: 1S/C12H22N2O5/c1-7(2)4-9(6-19-8(3)15)14-12(18)10(13)5-11(16)17/h7,9-10H,4-6,13H2,1-3H3,(H,14,18)(H,16,17)/t9-,10+/m0/s1
  • InChiKey: UUYVKNODXQULIJ-VHSXEESVSA-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
Toxoplasma gondii acyltransferase domain-containing protein 0.0075 0.0741 1
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0075 0.0741 0.073
Loa Loa (eye worm) hypothetical protein 0.0046 0.0363 0.1079
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0808 0.2446
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0498 0.1525
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0075 0.0741 1
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0075 0.0741 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0498 0.1525
Loa Loa (eye worm) hypothetical protein 0.0043 0.0328 0.0972
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0075 0.0741 0.5
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Brugia malayi Acyltransferase family protein 0.0075 0.0741 0.2266
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0093 0.0082
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0075 0.0741 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.066 0.0649
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0075 0.0741 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0645 0.0634
Brugia malayi hypothetical protein 0.0267 0.3268 1
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0021 0.0028
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.066 0.8668
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0264 0.0809
Loa Loa (eye worm) acyltransferase 0.0075 0.0741 0.2239
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0075 0.0741 0.073
Schistosoma mansoni microtubule-associated protein tau 0.078 1 1
Schistosoma mansoni hypothetical protein 0.0023 0.0065 0.0053
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0093 0.0082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0498 0.1495
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0281
Schistosoma mansoni hypothetical protein 0.0054 0.0474 0.0463
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 granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Echinococcus granulosus Msx-like 0.0072 0.07 0.069
Schistosoma mansoni hypothetical protein 0.0038 0.0264 0.0253
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.3268 0.326
Brugia malayi Bromodomain containing protein 0.0085 0.0872 0.2667
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0474 0.1451
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Schistosoma mansoni hypothetical protein 0.059 0.7504 0.7501
Loa Loa (eye worm) hypothetical protein 0.0075 0.0741 0.2239
Brugia malayi PHD-finger family protein 0.0028 0.0128 0.0392
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.066 0.0649
Brugia malayi Bromodomain containing protein 0.0043 0.0327 0.1
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0264 0.0776
Treponema pallidum lysophosphatidic acid acyltransferase 0.0075 0.0741 0.5
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0072 0.07 0.5019
Loa Loa (eye worm) hypothetical protein 0.0048 0.0391 0.1166
Echinococcus multilocularis microtubule associated protein 2 0.078 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0372
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0093 0.0082
Echinococcus multilocularis zinc finger protein 0.0022 0.0049 0.0037
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.066 0.0649
Schistosoma mansoni transcription factor 0.0072 0.07 0.069
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0281
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0065 0.0163
Schistosoma mansoni zinc finger protein 0.0022 0.0049 0.0037
Loa Loa (eye worm) hypothetical protein 0.0075 0.0741 0.2239
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
Toxoplasma gondii acyltransferase domain-containing protein 0.0075 0.0741 1
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0075 0.0741 1
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.3268 0.326
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0075 0.0741 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
Onchocerca volvulus 0.0054 0.0474 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.066 0.8668
Loa Loa (eye worm) hypothetical protein 0.0072 0.07 0.2115
Echinococcus multilocularis homeobox 0.0072 0.07 0.069
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0075 0.0741 0.073
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.066 0.0649
Echinococcus granulosus zinc finger protein 0.0022 0.0049 0.0037
Brugia malayi hypothetical protein 0.0028 0.0133 0.0406
Schistosoma mansoni bromodomain containing protein 0.0071 0.0698 0.0687

Activities

Activity type Activity value Assay description Source Reference
Log SP (functional) NA 0 Sweet potency as logarithm of sweet potency (log SP) relative to sucrose; No sweet 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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