Detailed information for compound 944916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.354 | Formula: C19H17N3O7
  • H donors: 0 H acceptors: 6 LogP: 0.78 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1C(=O)N(C)C(=O)C(C1=O)C1C2=C(CCCC2=O)Oc2c1cc(cc2)[N+](=O)[O-]
  • InChi: 1S/C19H17N3O7/c1-20-17(24)16(18(25)21(2)19(20)26)14-10-8-9(22(27)28)6-7-12(10)29-13-5-3-4-11(23)15(13)14/h6-8,14,16H,3-5H2,1-2H3
  • InChiKey: ARIWPNLGJWHTTL-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
Echinococcus multilocularis cysteine protease 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0112 0.538 1
Echinococcus granulosus cathepsin l1 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.2431
Loa Loa (eye worm) hypothetical protein 0.0037 0.0947 0.1761
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0074 0.3148 0.5761
Schistosoma mansoni cathepsin F (C01 family) 0.0075 0.3191 0.3191
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0074 0.3148 0.3048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.019 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0037 0.0947 0.0708
Echinococcus multilocularis cathepsin L cysteine protease 0.0112 0.538 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0112 0.538 1
Leishmania major dihydroorotate dehydrogenase 0.019 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.3014 0.5603
Onchocerca volvulus Cathepsin L homolog 0.0112 0.538 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2351 0.4247
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.538 0.4897
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1511 0.1511
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.019 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0112 0.538 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0037 0.0947 0.1761
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0921 0.153
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Brugia malayi Papain family cysteine protease containing protein 0.0058 0.2169 0.1962
Onchocerca volvulus 0.0112 0.538 1
Trypanosoma cruzi cysteine proteinase, putative 0.0058 0.2169 0.135
Plasmodium vivax vivapain-2 0.0112 0.538 0.4897
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Entamoeba histolytica cysteine proteinase, putative 0.0075 0.3191 0.3182
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0112 0.538 0.41
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1511 0.2652
Echinococcus multilocularis cathepsin L 0.0058 0.2169 0.3902
Entamoeba histolytica cysteine proteinase, putative 0.0112 0.538 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0921 0.153
Onchocerca volvulus Cathepsin L homolog 0.0112 0.538 1
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.538 0.4897
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.019 1 0.5
Brugia malayi Cathepsin L-like cysteine proteinase 0.0075 0.3191 0.3011
Entamoeba histolytica cysteine proteinase, putative 0.0112 0.538 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.019 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0074 0.3148 0.5761
Echinococcus granulosus cysteine protease 0.0058 0.2169 0.3902
Plasmodium vivax unspecified product 0.0058 0.2169 0.135
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Brugia malayi Bromodomain containing protein 0.0039 0.1063 0.0827
Entamoeba histolytica cysteine protease, putative 0.0112 0.538 1
Brugia malayi Bromodomain containing protein 0.0076 0.3272 0.3094
Onchocerca volvulus 0.0112 0.538 1
Trypanosoma cruzi cysteine proteinase, putative 0.0058 0.2169 0.135
Loa Loa (eye worm) hypothetical protein 0.0037 0.0947 0.1761
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Echinococcus granulosus cathepsin l1 0.0075 0.3191 0.5842
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.019 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.3048
Brugia malayi Papain family cysteine protease containing protein 0.0112 0.538 0.5258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0058 0.2169 0.2169
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0037 0.0947 0.0708
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1511 0.2652
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1511 0.1287
Echinococcus multilocularis cysteine protease 0.0112 0.538 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0112 0.538 0.41
Schistosoma mansoni dihydroorotate dehydrogenase 0.019 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.538 0.4897
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.019 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0112 0.538 1
Onchocerca volvulus 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0112 0.538 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0115 0.0115
Brugia malayi Cathepsin L-like precursor 0.0075 0.3191 0.3011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0947 0.1761
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.019 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.3191 0.5931
Brugia malayi Cathepsin L-like precursor 0.0075 0.3191 0.3011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.3048
Loa Loa (eye worm) hypothetical protein 0.0041 0.121 0.2249
Loa Loa (eye worm) fibroinase 0.0112 0.538 1
Trypanosoma cruzi cysteine protease, putative 0.0058 0.2169 0.135
Schistosoma mansoni cathepsin s 0.0037 0.0947 0.0947
Trypanosoma cruzi cysteine peptidase, putative 0.0112 0.538 0.4897
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Trypanosoma cruzi cruzipain precursor, putative 0.0112 0.538 0.4897
Onchocerca volvulus Cathepsin F homolog 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.019 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1325 0.2462
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2351 0.4247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1511 0.2652
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1511 0.2652
Plasmodium falciparum cysteine proteinase falcipain 3 0.0112 0.538 0.41
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.3048
Onchocerca volvulus 0.0112 0.538 1
Plasmodium vivax vivapain-2 0.0112 0.538 0.4897
Echinococcus granulosus cathepsin L cysteine protease 0.0058 0.2169 0.3902
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0058 0.2169 0.2169
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.3191 0.5931
Loa Loa (eye worm) cysteine protease 0.0112 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.3191 0.5931
Trypanosoma cruzi cysteine peptidase, putative 0.0058 0.2169 0.135
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.019 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0075 0.3191 0.3182
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0074 0.3148 0.5761
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0074 0.3148 0.3048
Onchocerca volvulus 0.0112 0.538 1
Plasmodium vivax vivapain-1 0.0058 0.2169 0.135
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0112 0.538 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0058 0.2169 0.2169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1511 0.1511
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.3048
Schistosoma mansoni cathepsin F (C01 family) 0.0112 0.538 0.538
Plasmodium vivax vivapain-3 0.0058 0.2169 0.135
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0112 0.538 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0037 0.0947 0.0708
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Onchocerca volvulus 0.0112 0.538 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Brugia malayi Papain family cysteine protease containing protein 0.0058 0.2169 0.1962
Brugia malayi Zinc finger, C2H2 type family protein 0.0074 0.3148 0.2967
Echinococcus multilocularis cathepsin L cysteine protease 0.0112 0.538 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1511 0.1511
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0075 0.3191 0.2478
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0075 0.3191 0.3182
Onchocerca volvulus 0.0112 0.538 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.019 1 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.019 1 0.5
Loa Loa (eye worm) ctsf protein 0.0112 0.538 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0112 0.538 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1067 0.1984
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0074 0.3148 0.5761
Brugia malayi cathepsin L-like precursor 0.0075 0.3191 0.3011
Schistosoma mansoni bromodomain containing protein 0.0064 0.2566 0.2566
Echinococcus granulosus cathepsin l cysteine peptidase 0.0112 0.538 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0058 0.2169 0.135
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0074 0.3148 0.3048
Echinococcus granulosus cathepsin L 0.0058 0.2169 0.3902
Loa Loa (eye worm) hypothetical protein 0.0112 0.538 1
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1511 0.2809
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0112 0.538 0.41
Schistosoma mansoni cathepsin F (C01 family) 0.0112 0.538 0.538
Brugia malayi Cathepsin L-like precursor 0.0112 0.538 0.5258
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.019 1 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.

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