Detailed information for compound 1615783

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.425 | Formula: C20H24N4O10
  • H donors: 1 H acceptors: 8 LogP: -0.22 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cc1nc2c(n1C1OC(C(C1OC(=O)C)OC(=O)C)COC(=O)C)ncnc2O
  • InChi: 1S/C20H24N4O10/c1-5-30-14(28)6-13-23-15-18(21-8-22-19(15)29)24(13)20-17(33-11(4)27)16(32-10(3)26)12(34-20)7-31-9(2)25/h8,12,16-17,20H,5-7H2,1-4H3,(H,21,22,29)
  • InChiKey: OSPRMIGYTHGMMX-UHFFFAOYSA-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
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0105 0.5
Mycobacterium ulcerans lipase LipD 0.004 0.0105 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0901 0.8616 0.8615
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0105 0.0105
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0105 0.0099
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0105 0.0099
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Onchocerca volvulus Glucosylceramidase homolog 0.0188 0.157 1
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Onchocerca volvulus 0.004 0.0105 0.0634
Loa Loa (eye worm) beta-lactamase 0.004 0.0105 0.0105
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0287 0.2546 0.2542
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0105 0.0099
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0105 0.0199
Onchocerca volvulus 0.004 0.0105 0.0634
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1671 0.323
Loa Loa (eye worm) hypothetical protein 0.0263 0.2307 0.2307
Brugia malayi beta-lactamase family protein 0.004 0.0105 0.0099
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0105 0.0199
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Leishmania major hypothetical protein, conserved 0.004 0.0105 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0105 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Schistosoma mansoni survival motor neuron protein 0.0054 0.0239 0.0469
Plasmodium vivax hypothetical protein, conserved 0.004 0.0105 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.0005 0.0005
Brugia malayi hypothetical protein 0.0136 0.1055 0.105
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.2307 0.2302
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Mycobacterium ulcerans beta-lactamase 0.004 0.0105 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0105 0.5
Onchocerca volvulus Huntingtin homolog 0.0136 0.1055 0.6706
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0005 0.0005
Toxoplasma gondii ABC1 family protein 0.004 0.0105 0.5
Onchocerca volvulus Huntingtin homolog 0.0136 0.1055 0.6706
Trichomonas vaginalis conserved hypothetical protein 0.053 0.4953 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0239 0.0234
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0105 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0287 0.2546 0.2546
Schistosoma mansoni hypothetical protein 0.0054 0.0239 0.0469
Mycobacterium ulcerans hypothetical protein 0.004 0.0105 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Mycobacterium leprae Probable lipase LipE 0.004 0.0105 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.2307 0.2302
Brugia malayi hypothetical protein 0.0263 0.2307 0.2302
Loa Loa (eye worm) hypothetical protein 0.0136 0.1055 0.1055
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0105 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Schistosoma mansoni serine/threonine protein kinase 0.0534 0.4985 1
Trichomonas vaginalis serine threonine-protein kinase, putative 0.053 0.4953 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Onchocerca volvulus 0.0054 0.0239 0.1492
Brugia malayi beta-lactamase 0.004 0.0105 0.0099
Loa Loa (eye worm) hypothetical protein 0.003 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.2236 1
Mycobacterium leprae conserved hypothetical protein 0.004 0.0105 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Brugia malayi beta-lactamase family protein 0.004 0.0105 0.0099
Trichomonas vaginalis glucosylceramidase, putative 0.0287 0.2546 0.5035
Loa Loa (eye worm) hypothetical protein 0.0136 0.1055 0.1055
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1671 0.323
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.157 0.3023
Onchocerca volvulus 0.004 0.0105 0.0634
Loa Loa (eye worm) hypothetical protein 0.004 0.0105 0.0105

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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