Detailed information for compound 1847765

Basic information

Technical information
  • TDR Targets ID: 1847765
  • Name: N-[(2R,3R,4S,5R)-2-(6-amino-8-methoxypurin-9- yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]be nzamide
  • MW: 400.389 | Formula: C18H20N6O5
  • H donors: 4 H acceptors: 6 LogP: 0.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)c1ccccc1)n1c(OC)nc2c1ncnc2N
  • InChi: 1S/C18H20N6O5/c1-28-18-23-12-14(19)20-8-21-15(12)24(18)17-11(13(26)10(7-25)29-17)22-16(27)9-5-3-2-4-6-9/h2-6,8,10-11,13,17,25-26H,7H2,1H3,(H,22,27)(H2,19,20,21)/t10-,11-,13-,17-/m1/s1
  • InChiKey: NVPBDGKXHGMCBP-YAMOITTJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2R,3R,4S,5R)-2-(6-amino-8-methoxy-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]benzamide
  • N-[(2R,3R,4S,5R)-2-(6-amino-8-methoxy-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl]benzamide
  • N-[(2R,3R,4S,5R)-2-(6-amino-8-methoxy-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]benzamide
  • N-[(2R,3R,4S,5R)-2-(6-amino-8-methoxy-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzamide

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
Brugia malayi histone deacetylase 1 (HD1) 0.0253 0.0228 0.0327
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0552 0.0818 0.12
Echinococcus granulosus histone deacetylase 6 0.028 0.0283 0.0277
Loa Loa (eye worm) hypothetical protein 0.0253 0.0228 0.0337
Mycobacterium leprae PROBABLE HYDROLASE 0.1639 0.2962 1
Loa Loa (eye worm) hypothetical protein 0.1388 0.2467 0.3645
Brugia malayi thymidylate synthase 0.0239 0.0202 0.0289
Echinococcus multilocularis histone deacetylase 1 0.0253 0.0228 0.0222
Echinococcus granulosus histone deacetylase 1 0.0253 0.0228 0.0222
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.0228 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1834 0.3347 1
Echinococcus granulosus adam 0.0253 0.023 0.0223
Echinococcus multilocularis histone deacetylase 7 0.0274 0.0271 0.0265
Leishmania major histone deacetylase, putative 0.0274 0.0271 0.1969
Entamoeba histolytica histone deacetylase, putative 0.0253 0.0228 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0274 0.0271 0.0792
Trypanosoma brucei histone deacetylase 1 0.0253 0.0228 0.1348
Onchocerca volvulus 0.1735 0.3151 0.4624
Plasmodium vivax histone deacetylase, putative 0.0289 0.0301 0.1283
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0337 0.0395 0.3763
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0555 0.0824 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0253 0.0228 0.1348
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0625 0.0963 0.2863
Brugia malayi Hemopexin family protein 0.1735 0.3151 0.465
Trypanosoma brucei histone deacetylase 4 0.0274 0.0271 0.1969
Onchocerca volvulus Matrilysin homolog 0.1388 0.2467 0.3552
Loa Loa (eye worm) hypothetical protein 0.1834 0.3347 0.4945
Echinococcus granulosus histone deacetylase 3 0.0253 0.0228 0.0222
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0337 0.0395 0.2946
Brugia malayi histone deacetylase 3 (HD3) 0.0253 0.0228 0.0327
Plasmodium vivax peptide deformylase, putative 0.0539 0.0793 1
Schistosoma mansoni histone deacetylase 0.0253 0.0228 0.0664
Brugia malayi hypothetical protein 0.0253 0.023 0.033
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Toxoplasma gondii hypothetical protein 0.0539 0.0793 1
Loa Loa (eye worm) reprolysin 0.014 0.0007 0.001
Echinococcus multilocularis histone deacetylase 6 0.0274 0.0271 0.0265
Brugia malayi Histone deacetylase family protein 0.0274 0.0271 0.0391
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0555 0.0824 1
Loa Loa (eye worm) hypothetical protein 0.014 0.0007 0.001
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1639 0.2962 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0555 0.0824 0.0818
Leishmania major histone deacetylase, putative 0.0253 0.0228 0.1348
Onchocerca volvulus 0.1388 0.2467 0.3552
Loa Loa (eye worm) hypothetical protein 0.1388 0.2467 0.3645
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.0228 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.0555 0.0824 0.0818
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0539 0.0793 0.5
Echinococcus granulosus histone deacetylase 6 0.0274 0.0271 0.0265
Plasmodium vivax histone deacetylase 2, putative 0.0274 0.0271 0.0758
Brugia malayi Matrixin family protein 0.1388 0.2467 0.3639
Plasmodium falciparum peptide deformylase 0.0539 0.0793 1
Loa Loa (eye worm) matrixin family protein 0.3027 0.5699 0.8421
Echinococcus multilocularis histone deacetylase 3 0.0253 0.0228 0.0222
Onchocerca volvulus Matrilysin homolog 0.3473 0.6579 1
Leishmania major histone deacetylase, putative 0.0274 0.0271 0.1969
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0555 0.0824 1
Loa Loa (eye worm) histone deacetylase 3 0.0253 0.0228 0.0337
Schistosoma mansoni histone deacetylase 4 5 0.0274 0.0271 0.0792
Loa Loa (eye worm) hypothetical protein 0.0156 0.0037 0.0054
Mycobacterium ulcerans peptide deformylase 0.0539 0.0793 0.214
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.5207 1 1
Brugia malayi Matrixin family protein 0.1388 0.2467 0.3639
Brugia malayi Histone deacetylase family protein 0.0274 0.0271 0.0391
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0337 0.0395 0.2946
Echinococcus multilocularis adam 0.0253 0.023 0.0223
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.0066 0.0098
Echinococcus granulosus thymidylate synthase 0.0239 0.0202 0.0196
Brugia malayi Histone deacetylase 1 0.0253 0.0228 0.0327
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0337 0.0395 0.3763
Giardia lamblia Histone deacetylase 0.0253 0.0228 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0253 0.0228 0.1348
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0733 0.1176 0.117
Echinococcus granulosus histone deacetylase 7 0.0274 0.0271 0.0265
Toxoplasma gondii histone deacetylase HDAC1 0.0274 0.0271 0.0758
Loa Loa (eye worm) histone deacetylase 11 0.0289 0.0301 0.0444
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0337 0.0395 0.3763
Echinococcus granulosus adam 17 protease 0.1285 0.2264 0.2259
Brugia malayi Matrixin family protein 0.1388 0.2467 0.3639
Loa Loa (eye worm) thymidylate synthase 0.0239 0.0202 0.0299
Echinococcus granulosus histone deacetylase 6 0.0274 0.0271 0.0265
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.0555 0.0824 0.0818
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0253 0.0228 0.5
Brugia malayi P38 map kinase family protein 2 0.0555 0.0824 0.1209
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.0271 0.1969
Schistosoma mansoni hypothetical protein 0.1735 0.3151 0.9414
Brugia malayi Matrixin family protein 0.1388 0.2467 0.3639
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0539 0.0793 0.214
Loa Loa (eye worm) matrixin family protein 0.3568 0.6768 1
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.0271 0.1969
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0733 0.1176 0.117
Echinococcus multilocularis adam 17 protease 0.1169 0.2035 0.2029
Plasmodium vivax histone deacetylase, putative 0.0274 0.0271 0.0758
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0239 0.0202 0.0585
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0555 0.0824 0.1218
Brugia malayi Matrixin family protein 0.3568 0.6768 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0555 0.0824 1
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.027 0.0263 0.0257
Loa Loa (eye worm) hypothetical protein 0.0162 0.0049 0.0072
Chlamydia trachomatis peptide deformylase 0.0539 0.0793 0.5
Brugia malayi ADAM-TS Spacer 1 family protein 0.0262 0.0247 0.0355
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Schistosoma mansoni histone deacetylase 0.0253 0.0228 0.0664
Trypanosoma brucei histone deacetylase 3 0.0274 0.0271 0.1969
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.1169 0.2035 0.6072
Echinococcus multilocularis histone deacetylase 6 0.0274 0.0271 0.0265
Echinococcus granulosus histone deacetylase 0.0274 0.0271 0.0265
Echinococcus granulosus mitogen activated protein kinase 14 0.0555 0.0824 0.0818
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0625 0.0963 0.0957
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0337 0.0395 0.2946
Loa Loa (eye worm) histone deacetylase 7A 0.0274 0.0271 0.0401
Toxoplasma gondii histone deacetylase HDAC4 0.0289 0.0301 0.1283
Mycobacterium ulcerans hydrolase 0.1639 0.2962 1
Trypanosoma brucei histone deacetylase, putative 0.0274 0.0271 0.1969
Echinococcus granulosus nuclear receptor co repressor related ncor 0.027 0.0263 0.0257
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0253 0.023 0.0668
Brugia malayi histone deacetylase 11 0.0289 0.0301 0.0434
Onchocerca volvulus Matrix metalloproteinase homolog 0.3027 0.5699 0.8621
Schistosoma mansoni histone deacetylase hda2 0.028 0.0283 0.0828
Echinococcus multilocularis mitogen activated protein kinase 11 0.0555 0.0824 0.0818
Loa Loa (eye worm) hypothetical protein 0.1639 0.2962 0.4377
Loa Loa (eye worm) histone deacetylase 0.0274 0.0271 0.0401
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0771 0.1251 0.3726
Loa Loa (eye worm) hypothetical protein 0.0262 0.0247 0.0365
Echinococcus multilocularis histone deacetylase 0.0274 0.0271 0.0265
Loa Loa (eye worm) matrix metalloproteinase 0.1388 0.2467 0.3645
Echinococcus multilocularis thymidylate synthase 0.0239 0.0202 0.0196
Leishmania major histone deacetylase, putative 0.0253 0.0228 0.1348
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0625 0.0963 0.0957
Treponema pallidum polypeptide deformylase (def) 0.0539 0.0793 0.5
Loa Loa (eye worm) hypothetical protein 0.2455 0.4573 0.6757
Trichomonas vaginalis histone deacetylase, putative 0.0253 0.0228 0.5
Plasmodium falciparum histone deacetylase 2 0.0274 0.0271 0.0758
Plasmodium falciparum histone deacetylase, putative 0.0274 0.0271 0.0758
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1639 0.2962 0.4371
Echinococcus multilocularis mitogen activated protein kinase 11 0.0555 0.0824 0.0818
Loa Loa (eye worm) histone deacetylase 1 0.0253 0.0228 0.0337
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0539 0.0793 0.214
Trypanosoma cruzi histone deacetylase, putative 0.0274 0.0271 0.1969
Echinococcus multilocularis histone deacetylase 6 0.028 0.0283 0.0277

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 mM Inhibition of glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei ChEMBL. 7562915
IC50 (binding) = 9 mM TInhibition of glyceraldehyde-3-phosphate dehydrogenase in Leishmania mexicana ChEMBL. 7562915
IC50 (binding) > 10 mM Inhibition of Glyceraldehyde-3-phosphate dehydrogenase in human erythrocytes. ChEMBL. 7562915

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

1 literature reference was collected for this gene.

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