Detailed information for compound 508664

Basic information

Technical information
  • TDR Targets ID: 508664
  • Name: [(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy -6-(hydroxymethyl)oxan-2-ylidene]amino] N-phe nylcarbamate
  • MW: 353.327 | Formula: C15H19N3O7
  • H donors: 5 H acceptors: 5 LogP: -0.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O/C(=N\OC(=O)Nc2ccccc2)/[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
  • InChi: 1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
  • InChiKey: PBLNJFVQMUMOJY-JXZOILRNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] N-phenylcarbamate
  • N-phenylcarbamic acid [(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranylidene]amino] ester
  • N-phenylcarbamic acid [(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-ylidene]amino] ester
  • N-acetylglucosaminono-1,5-lactone O-(phenylcarbamoyl)oxime
  • [[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
  • [[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-ylidene]amino] N-phenylcarbamate
  • N-phenylcarbamic acid [[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranylidene]amino] ester
  • N-phenylcarbamic acid [[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-ylidene]amino] ester
  • 132489-69-1
  • (1Z)-2-(Acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-D-gluconimidic acid delta-lactone
  • D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-, delta-lactone, (1Z)-
  • Nac-lapco
  • O-(2-Acetamido-2-deoxyglucopyranosylidene)amino N-phenylcarbamate
  • Pugnac
  • O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE

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 multilocularis survival motor neuron protein 1 0.0198 0.5896 0.5896
Schistosoma mansoni hypothetical protein 0.0029 0.0489 0.0489
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0017 0.0135 0.0135
Loa Loa (eye worm) TAR-binding protein 0.0053 0.1271 0.1271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0801 0.0801
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0801 0.0801
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0801 0.0801
Trypanosoma cruzi importin beta-1 subunit, putative 0.0019 0.0191 0.1315
Echinococcus multilocularis snurportin 1 0.0253 0.7644 0.7644
Echinococcus granulosus cathepsin l1 0.0014 0.0026 0.0026
Echinococcus multilocularis bifunctional protein NCOAT 0.0327 1 1
Brugia malayi RNA binding protein 0.0053 0.1271 0.1271
Echinococcus granulosus cathepsin l cysteine peptidase 0.0014 0.0026 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0801 0.0801
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0053 0.1271 0.1271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0334 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Schistosoma mansoni survival motor neuron protein 0.004 0.0867 0.0867
Loa Loa (eye worm) hypothetical protein 0.0029 0.0489 0.0489
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0135 0.0865
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1271 0.1271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0801 0.0801
Schistosoma mansoni cathepsin F (C01 family) 0.0014 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0026 0.0026
Brugia malayi TAR-binding protein 0.0053 0.1271 0.1271
Loa Loa (eye worm) ctsf protein 0.0014 0.0026 0.0026
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0049 0.1135 0.8824
Loa Loa (eye worm) hypothetical protein 0.0198 0.5896 0.5896
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0489 0.0489
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0334 0.0334
Loa Loa (eye worm) RNA binding protein 0.0053 0.1271 0.1271
Plasmodium falciparum importin beta, putative 0.0024 0.0334 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.004 0.0867 0.0867
Entamoeba histolytica Ran family GTPase 0.0017 0.0135 0.6578
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Echinococcus granulosus cathepsin L cysteine proteinase 0.0014 0.0026 0.0026
Entamoeba histolytica hypothetical protein 0.0019 0.0191 1
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Leishmania major cathepsin L-like protease 0.0054 0.1283 1
Brugia malayi hypothetical protein 0.0198 0.5896 0.5896
Echinococcus granulosus GTP binding nuclear protein Ran 0.0017 0.0135 0.0135
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Leishmania major GTP-binding protein, putative 0.0017 0.0135 0.0865
Trichomonas vaginalis importin beta-1, putative 0.0019 0.0191 1
Echinococcus multilocularis cysteine protease 0.0014 0.0026 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0801 0.0801
Echinococcus granulosus tar DNA binding protein 0.0053 0.1271 0.1271
Schistosoma mansoni cathepsin F (C01 family) 0.0014 0.0026 0.0026
Plasmodium vivax importin-beta 2, putative 0.0024 0.0334 1
Leishmania major cathepsin L-like protease 0.0054 0.1283 1
Echinococcus granulosus importin subunit beta 1 0.0024 0.0334 0.0334
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0017 0.0135 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.4006 0.4006
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0017 0.0135 0.3528
Schistosoma mansoni hypothetical protein 0.0253 0.7644 0.7644
Brugia malayi RNA, U transporter 1 0.0067 0.1727 0.1727
Echinococcus multilocularis cathepsin L cysteine protease 0.0014 0.0026 0.0026
Brugia malayi Papain family cysteine protease containing protein 0.0014 0.0026 0.0026
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.091 0.091
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0014 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Brugia malayi Cathepsin L-like precursor 0.0014 0.0026 0.0026
Trypanosoma cruzi cruzipain precursor, putative 0.0054 0.1283 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0801 0.0801
Schistosoma mansoni Hyaluronidase 0.0327 1 1
Loa Loa (eye worm) hyaluronidase 0.0327 1 1
Onchocerca volvulus 0.004 0.0867 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0253 0.7644 0.7644
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0334 0.1737
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0014 0.0026 0.0026
Schistosoma mansoni ran 0.0017 0.0135 0.0135
Leishmania major cathepsin L-like protease 0.0054 0.1283 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0801 0.0801
Brugia malayi Importin beta-1 subunit 0.0024 0.0334 0.0334
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0014 0.0026 0.0026
Schistosoma mansoni importin beta-1 0.0024 0.0334 0.0334
Echinococcus multilocularis tar DNA binding protein 0.0053 0.1271 0.1271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Schistosoma mansoni ran 0.0017 0.0135 0.0135
Brugia malayi RNA recognition motif domain containing protein 0.0053 0.1271 0.1271
Echinococcus granulosus bifunctional protein NCOAT 0.0327 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0017 0.0135 0.0135
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0327 1 1
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1271 0.1271
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1271 0.1271
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0017 0.0135 0.3528
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1271 0.1271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0801 0.0801
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0014 0.0026 0.0026
Echinococcus granulosus survival motor neuron protein 1 0.0198 0.5896 0.5896
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0017 0.0135 0.0865
Echinococcus multilocularis cysteine protease 0.0014 0.0026 0.0026
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0191 1
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.1283 1
Schistosoma mansoni tar DNA-binding protein 0.0053 0.1271 0.1271
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.1283 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0017 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0024 0.0334 0.0334
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0042 0.091 0.091
Leishmania major importin beta-1 subunit, putative 0.0019 0.0191 0.1315
Loa Loa (eye worm) fibroinase 0.0014 0.0026 0.0026
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0019 0.0191 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.091 0.091
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0334 0.1737
Loa Loa (eye worm) cysteine protease 0.0014 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.004 0.0867 0.0867
Echinococcus granulosus snurportin 1 0.0253 0.7644 0.7644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0054 0.1283 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0014 0.0026 0.0026
Trichomonas vaginalis ran, putative 0.0017 0.0135 0.6578
Loa Loa (eye worm) hypothetical protein 0.0042 0.091 0.091
Trypanosoma cruzi cysteine peptidase, putative 0.0054 0.1283 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0042 0.0918 0.7098
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0017 0.0135 0.3528

Activities

Activity type Activity value Assay description Source Reference
Kinact (binding) = 0.036 uM Inhibition of human family 20 beta-hexosaminidase ChEMBL. 17439950
Kinact (binding) = 0.046 uM Inhibition of human family 84 O-GLcNAcase ChEMBL. 17439950
Kinact (binding) = 0.046 uM Inhibition of human family 84 O-GLcNAcase ChEMBL. 17439950
Kinact (binding) = 0.048 uM Inhibition of Vibrio cholerae NagZ ChEMBL. 17439950
Kinact (binding) = 0.048 uM Inhibition of Vibrio cholerae NagZ ChEMBL. 17439950
Selectivity ratio (binding) = 1 Ratio of human 84 O-GLcNAcase to Vibrio cholerae NagZ ChEMBL. 17439950

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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