Detailed information for compound 1578875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.419 | Formula: C18H29N4O8P
  • H donors: 3 H acceptors: 4 LogP: -0.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@@H](NP1(=O)OC[C@@H]2[C@@H](O1)[C@@](C)(O)[C@@H](O2)n1ccc(nc1=O)N)CC(C)C
  • InChi: 1S/C18H29N4O8P/c1-5-27-15(23)11(8-10(2)3)21-31(26)28-9-12-14(30-31)18(4,25)16(29-12)22-7-6-13(19)20-17(22)24/h6-7,10-12,14,16,25H,5,8-9H2,1-4H3,(H,21,26)(H2,19,20,24)/t11-,12+,14+,16+,18+,31?/m0/s1
  • InChiKey: IEGWVOBNEGJWTE-NYDBSKICSA-N  

Network

Hover on a compound node to display the structore

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
Plasmodium vivax glutathione reductase, putative 0.0053 0.0642 0.1698
Schistosoma mansoni nuclear receptor nhr-48 0.0063 0.0961 0.2201
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Toxoplasma gondii thioredoxin reductase 0.0053 0.0642 0.1698
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0133 0.3153 0.7431
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.2742 0.8523
Echinococcus multilocularis chromobox protein 1 0.0077 0.1418 0.4431
Onchocerca volvulus 0.0105 0.2266 0.3079
Brugia malayi nuclear receptor RXR 0.0063 0.0961 0.1493
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Echinococcus granulosus nuclear receptor nhr 48 0.0063 0.0961 0.3047
Brugia malayi Thioredoxin reductase 0.0053 0.0642 0.0978
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.0961 0.2962
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0642 0.1698
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0133 0.3153 0.5041
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0147 0.3597 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0133 0.3153 0.5041
Trichomonas vaginalis chromobox protein, putative 0.0047 0.046 0.015
Brugia malayi nuclear receptor NHR-88 0.0133 0.3153 0.5041
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0038 0.0121
Schistosoma mansoni nuclear receptor 0.0063 0.0961 0.2201
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0133 0.3153 0.5041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0133 0.3153 0.3127
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0556 0.0289
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0642 0.2037
Schistosoma mansoni nuclear receptor 0.0063 0.0961 0.2201
Trichomonas vaginalis chromobox protein, putative 0.0077 0.1418 0.1548
Brugia malayi hypothetical protein 0.0135 0.3223 0.5154
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0133 0.3153 0.3127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0133 0.3153 0.5041
Loa Loa (eye worm) thymidylate synthase 0.0105 0.2266 0.2237
Trichomonas vaginalis chromobox protein, putative 0.0077 0.1418 0.1548
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.3159 1
Schistosoma mansoni nuclear hormone receptor 0.0063 0.0961 0.2201
Brugia malayi nuclear receptor NHR-88 0.0063 0.0961 0.1493
Brugia malayi Pre-SET motif family protein 0.0231 0.6218 1
Loa Loa (eye worm) DR-78 0.0063 0.0961 0.0926
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0133 0.3153 0.5041
Brugia malayi glutathione reductase 0.0053 0.0642 0.0978
Schistosoma mansoni thyroid hormone receptor 0.0133 0.3153 0.7431
Schistosoma mansoni nuclear hormone receptor 0.0063 0.0961 0.2201
Brugia malayi conserved hypotetical protein 0.0063 0.0961 0.1493
Brugia malayi nuclear receptor NHR-67 0.0063 0.0961 0.1493
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.0961 0.3047
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0133 0.3153 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.007 0.1196 0.2761
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0133 0.3153 0.5041
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.3159 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.3159 1
Brugia malayi nuclear hormone receptor 0.0133 0.3153 0.5041
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0133 0.3153 0.7431
Brugia malayi hypothetical protein 0.007 0.1196 0.1873
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0063 0.0961 0.0926
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0133 0.3153 1
Brugia malayi Nuclear hormone receptor E75 0.0063 0.0961 0.1493
Schistosoma mansoni coup transcription factor 0.0133 0.3153 0.7431
Mycobacterium tuberculosis Hypothetical protein 0.005 0.0556 0.0785
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.007 0.1196 0.3792
Echinococcus granulosus ecdysone induced protein 78C 0.0133 0.3153 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.3597 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0133 0.3153 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0133 0.3153 0.7431
Loa Loa (eye worm) dihydrofolate reductase 0.0043 0.0334 0.0297
Schistosoma mansoni chromobox protein 0.0077 0.1418 0.3292
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0133 0.3153 1
Onchocerca volvulus 0.0063 0.0961 0.1254
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0063 0.0961 0.2962
Onchocerca volvulus 0.0063 0.0961 0.1254
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0133 0.3153 0.5041
Echinococcus multilocularis dihydrofolate reductase 0.0043 0.0334 0.0949
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0133 0.3153 0.5041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0133 0.3153 0.3127
Echinococcus multilocularis chromobox protein 1 0.0077 0.1418 0.4431
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0642 0.0607
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0063 0.0961 0.2962
Schistosoma mansoni retinoid-x-receptor (RXR) 0.007 0.1196 0.2761
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Loa Loa (eye worm) hypothetical protein 0.007 0.1196 0.1162
Brugia malayi Nuclear hormone receptor E75 0.0063 0.0961 0.1493
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0133 0.3153 1
Mycobacterium tuberculosis Probable reductase 0.012 0.2742 0.8523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0133 0.3153 0.3127
Brugia malayi ecdysone receptor 0.0063 0.0961 0.1493
Brugia malayi thymidylate synthase 0.0105 0.2266 0.3606
Schistosoma mansoni hypothetical protein 0.0058 0.0796 0.1808
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Onchocerca volvulus 0.0263 0.7214 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.1196 0.1873
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.007 0.1196 0.1162
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.046 0.0553
Brugia malayi Steroid receptor seven-up type 2 0.0133 0.3153 0.5041
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0133 0.3153 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0642 0.1092
Brugia malayi Heterochromatin protein 1 0.0077 0.1418 0.2234
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0133 0.3153 1
Brugia malayi Nuclear hormone receptor-like 1 0.007 0.1196 0.1873
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.0961 0.2962
Echinococcus granulosus chromobox protein 1 0.0077 0.1418 0.4498
Brugia malayi Dihydrofolate reductase 0.0043 0.0334 0.0479
Schistosoma mansoni chromobox protein 0.0077 0.1418 0.3292
Brugia malayi hypothetical protein 0.007 0.1196 0.1873
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0063 0.0961 0.3047
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0133 0.3153 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0063 0.0961 0.2201
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0063 0.0961 0.1254
Echinococcus multilocularis ecdysone induced protein 78C 0.0133 0.3153 1
Loa Loa (eye worm) glutathione reductase 0.0053 0.0642 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0133 0.3153 0.5041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0133 0.3153 1
Brugia malayi tailless protein 0.0063 0.0961 0.1493
Loa Loa (eye worm) hypothetical protein 0.0043 0.0357 0.032
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.2742 0.8523
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0133 0.3153 0.5041
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.0961 0.2962
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0133 0.3153 0.5041
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0133 0.3153 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0063 0.0961 0.2962
Onchocerca volvulus 0.0046 0.0433 0.0516
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0642 0.0286
Echinococcus granulosus thyroid hormone receptor alpha 0.0063 0.0961 0.3047
Schistosoma mansoni steroid hormone receptor ad4bp 0.0133 0.3153 0.7431
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0105 0.2266 0.5315
Loa Loa (eye worm) nuclear hormone receptor 0.0063 0.0961 0.0926
Trichomonas vaginalis set domain proteins, putative 0.0263 0.7214 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0133 0.3153 0.432
Chlamydia trachomatis dihydrofolate reductase 0.0043 0.0334 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0357 0.0409
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.2742 0.8523
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0133 0.3153 0.7431
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0063 0.0961 0.1493
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0133 0.3153 0.5041
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0147 0.3597 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.3159 1
Loa Loa (eye worm) steroid hormone receptor 0.0133 0.3153 0.3127
Echinococcus granulosus FTZ F1 alpha 0.0133 0.3153 1
Brugia malayi chromobox protein homolog 3 0.0043 0.0357 0.0516
Onchocerca volvulus 0.0133 0.3153 0.432
Brugia malayi hypothetical protein 0.0063 0.0961 0.1493
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0147 0.3597 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0133 0.3153 0.5041
Brugia malayi nuclear receptor RXR 0.007 0.1196 0.1873
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0133 0.3153 0.5041
Echinococcus granulosus chromobox protein 1 0.0077 0.1418 0.4498
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Trichomonas vaginalis chromobox protein, putative 0.0047 0.046 0.015
Schistosoma mansoni nuclear hormone receptor 0.0133 0.3153 0.7431
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0063 0.0961 0.2201
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.3153 0.5041
Brugia malayi nuclear hormone receptor 0.0063 0.0961 0.1493
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0133 0.3153 0.3127
Loa Loa (eye worm) hypothetical protein 0.007 0.1196 0.1162
Schistosoma mansoni dihydrofolate reductase 0.0043 0.0334 0.0705
Echinococcus granulosus dihydrofolate reductase 0.0043 0.0334 0.1059
Brugia malayi hypothetical protein 0.0063 0.0961 0.1493
Echinococcus multilocularis thyroid hormone receptor alpha 0.0133 0.3153 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0133 0.3153 0.7431
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.0961 0.3047
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0642 0.194
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0147 0.3597 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.2742 0.8523
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0133 0.3153 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.007 0.1196 0.3716
Brugia malayi nuclear hormone receptor family member nhr-6 0.0063 0.0961 0.1493
Schistosoma mansoni zinc finger protein 0.0063 0.0961 0.2201
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0046 0.0433 0.0943
Schistosoma mansoni retinoic acid receptor RXR 0.0133 0.3153 0.7431
Schistosoma mansoni thyroid hormone receptor 0.0133 0.3153 0.7431
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.6218 0.6203
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0147 0.3597 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0065 0.0027
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.2742 0.8523
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0133 0.3153 1
Echinococcus multilocularis thymidylate synthase 0.0105 0.2266 0.7152
Onchocerca volvulus Bile acid receptor homolog 0.0133 0.3153 0.432
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0133 0.3153 0.7431
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0105 0.2266 0.6839
Brugia malayi ecdysteroid receptor 0.0133 0.3153 0.5041
Schistosoma mansoni RAR-like nuclear receptor 0.0133 0.3153 0.7431
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.0961 0.3047
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0105 0.2266 0.6839
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0133 0.3153 0.3127
Brugia malayi hypothetical protein 0.005 0.0556 0.0837
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Onchocerca volvulus Protein ultraspiracle homolog 0.0133 0.3153 0.432
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Loa Loa (eye worm) hypothetical protein 0.007 0.1196 0.1162
Loa Loa (eye worm) hypothetical protein 0.0133 0.3153 0.3127
Brugia malayi steroid hormone receptor 0.0133 0.3153 0.5041
Echinococcus granulosus thymidylate synthase 0.0105 0.2266 0.7187
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0133 0.3153 1
Brugia malayi orphan nuclear receptor NR2E1 0.0063 0.0961 0.1493
Loa Loa (eye worm) hypothetical protein 0.007 0.1196 0.1162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0133 0.3153 0.3127
Loa Loa (eye worm) nuclear receptor NHR-67 0.0063 0.0961 0.0926
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.2742 0.8523
Brugia malayi nuclear hormone receptor family member odr-7 0.0063 0.0961 0.1493
Loa Loa (eye worm) hypothetical protein 0.007 0.1196 0.1162
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.1418 0.1386
Brugia malayi dihydrofolate reductase family protein 0.0043 0.0334 0.0479
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0063 0.0961 0.1254
Loa Loa (eye worm) hypothetical protein 0.0063 0.0961 0.0926
Mycobacterium ulcerans thymidylate synthase 0.0105 0.2266 1
Echinococcus multilocularis FTZ F1 alpha 0.0133 0.3153 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.