Detailed information for compound 1028886

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.25 | Formula: C12H14N2O5
  • H donors: 5 H acceptors: 5 LogP: -0.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCNC(=O)/C=C/c1ccc(c(c1)O)O
  • InChi: 1S/C12H14N2O5/c15-9-3-1-8(7-10(9)16)2-4-11(17)13-6-5-12(18)14-19/h1-4,7,15-16,19H,5-6H2,(H,13,17)(H,14,18)/b4-2+
  • InChiKey: RZYMJPDUCHTUMN-DUXPYHPUSA-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 cruzi hypothetical protein, conserved 0.0041 0.089 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0886 0.3814
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.2002 0.8615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1251 0.5382
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0951 0.2714
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0258 0.1109
Loa Loa (eye worm) hypothetical protein 0.0049 0.1202 0.4769
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.089 0.3828
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1251 0.3751
Echinococcus granulosus chromobox protein 1 0.0076 0.2324 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1084 0.3419
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0886 0.3814
Echinococcus multilocularis chromobox protein 1 0.0076 0.2324 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1251 0.5382
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.089 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.252 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.2002 0.8615
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.089 0.3828
Onchocerca volvulus 0.0041 0.089 0.6202
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.089 0.2389
Brugia malayi Heterochromatin protein 1 0.0076 0.2324 0.8315
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0029 0.0114
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.089 0.3828
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Schistosoma mansoni zinc finger protein 0.0022 0.0118 0.051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1251 0.5382
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1251 0.4965
Schistosoma mansoni bromodomain containing protein 0.0072 0.2171 0.9338
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.089 0.3828
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.089 0.2389
Brugia malayi beta-lactamase family protein 0.0041 0.089 0.2215
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2324 1
Echinococcus multilocularis chromobox protein 1 0.0076 0.2324 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.089 0.2389
Trichomonas vaginalis esterase, putative 0.0041 0.089 0.2389
Leishmania major hypothetical protein, conserved 0.0041 0.089 0.5
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2324 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0951 0.2714
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.089 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1251 0.5382
Schistosoma mansoni chromobox protein 0.0076 0.2324 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0951 0.7399
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1251 0.5382
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0258 0.1109
Loa Loa (eye worm) hypothetical protein 0.0047 0.1112 0.4413
Schistosoma mansoni hypothetical protein 0.0024 0.0168 0.0723
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0168 0.0667
Toxoplasma gondii ABC1 family protein 0.0041 0.089 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.089 0.2215
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.089 0.5
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1084 0.3419
Loa Loa (eye worm) hypothetical protein 0.0044 0.1001 0.3972
Echinococcus granulosus chromobox protein 1 0.0076 0.2324 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.089 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.089 0.2389
Plasmodium vivax hypothetical protein, conserved 0.0041 0.089 0.5
Brugia malayi beta-lactamase 0.0041 0.089 0.2215
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.089 0.2389
Mycobacterium ulcerans lipase LipD 0.0041 0.089 0.5
Loa Loa (eye worm) beta-lactamase 0.0041 0.089 0.3531
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.089 0.5
Echinococcus multilocularis zinc finger protein 0.0022 0.0118 0.051
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.1084 1
Mycobacterium leprae conserved hypothetical protein 0.0041 0.089 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Loa Loa (eye worm) hypothetical protein 0.0043 0.0951 0.3774
Schistosoma mansoni chromobox protein 0.0076 0.2324 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.089 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.2324 0.9224
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0258 0.1109
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.089 0.3531
Onchocerca volvulus 0.0041 0.089 0.6202
Brugia malayi chromobox protein homolog 3 0.0043 0.0951 0.2475
Echinococcus granulosus zinc finger protein 0.0022 0.0118 0.051
Brugia malayi Bromodomain containing protein 0.0086 0.2721 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Brugia malayi beta-lactamase family protein 0.0041 0.089 0.2215
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1251 0.5382
Loa Loa (eye worm) hypothetical protein 0.0041 0.089 0.3531
Onchocerca volvulus 0.0041 0.089 0.6202
Brugia malayi Bromodomain containing protein 0.0044 0.0998 0.2673
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1251 0.5382
Loa Loa (eye worm) hypothetical protein 0.0033 0.0573 0.2272
Mycobacterium leprae Probable lipase LipE 0.0041 0.089 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of mushroom tyrosinase using L-DOPA as substrate at 50 uM after 10 mins by UV absorbance method ChEMBL. 21840713

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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