Detailed information for compound 307222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 194.187 | Formula: C9H10N2O3
  • H donors: 1 H acceptors: 3 LogP: -0.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C=C/n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C9H10N2O3/c1-6-5-11(4-3-7(2)12)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14)/b4-3+
  • InChiKey: KRGOZWZPQZMGPU-ONEGZZNKSA-N  

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
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0909 0.0916
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Schistosoma mansoni gliotactin 0.0092 0.0909 0.0916
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0324 0.3567
Echinococcus multilocularis BC026374 protein (S09 family) 0.0092 0.0909 0.0916
Schistosoma mansoni serine/threonine protein kinase 0.0502 0.7603 0.7664
Brugia malayi Protein kinase domain containing protein 0.0116 0.1309 0.1319
Loa Loa (eye worm) carboxylesterase 0.0092 0.0909 0.0909
Entamoeba histolytica hypothetical protein 0.0111 0.123 0.1617
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Echinococcus granulosus cyclin dependent kinase 9 0.0116 0.1309 0.1319
Brugia malayi cyclin-dependent kinase 7 homolog 0.0116 0.1309 0.1319
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Loa Loa (eye worm) cuticular endochitinase 0.0081 0.0729 0.0729
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Brugia malayi hypothetical protein 0.0119 0.1358 0.1368
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis acetylcholinesterase 0.0542 0.826 0.8326
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Echinococcus multilocularis cyclin dependent kinase 9 0.0116 0.1309 0.1319
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0 0.5
Schistosoma mansoni protein kinase 0.0116 0.1309 0.1319
Brugia malayi Carboxylesterase family protein 0.0092 0.0909 0.0916
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0502 0.7603 1
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Entamoeba histolytica hypothetical protein 0.0097 0.1003 0.1319
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Loa Loa (eye worm) microfilarial chitinase 0.0078 0.0694 0.0694
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.1309 0.1721
Onchocerca volvulus 0.0092 0.0909 0.233
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0128 0.1501 0.1513
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus granulosus serine:threonine protein kinase NLK 0.0116 0.1309 0.1319
Loa Loa (eye worm) hypothetical protein 0.0542 0.826 0.826
Echinococcus granulosus dual specificity 0.0502 0.7603 0.7664
Schistosoma mansoni serine/threonine kinase 0.0116 0.1309 0.1319
Echinococcus granulosus mitogen activated protein kinase 15 0.0116 0.1309 0.1319
Loa Loa (eye worm) haspin protein kinase 0.0644 0.9921 0.9921
Onchocerca volvulus 0.0092 0.0909 0.233
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0092 0.0909 0.1195
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1309 0.1721
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0097 0.1003 0.1319
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0542 0.826 0.8326
Echinococcus granulosus dual specificity 0.0502 0.7603 0.7664
Echinococcus granulosus acetylcholinesterase 0.0542 0.826 0.8326
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0097 0.1003 0.1319
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0263 0.0263
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0909 0.0916
Echinococcus granulosus dual specificity 0.0502 0.7603 0.7664
Entamoeba histolytica cell division protein kinase 2, putative 0.0116 0.1309 0.1721
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.0909 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0324 0.0327
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0644 0.9921 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1501 0.1501
Onchocerca volvulus 0.0092 0.0909 0.233
Plasmodium vivax hypothetical protein, conserved 0.0128 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0535 0.0535
Loa Loa (eye worm) hypothetical protein 0.0542 0.826 0.826
Entamoeba histolytica protein kinase, putative 0.0097 0.1003 0.1319
Brugia malayi hypothetical protein 0.0092 0.0909 0.0916
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.0909 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0116 0.1309 0.1319
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0116 0.1309 0.1319
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Brugia malayi Carboxylesterase family protein 0.0092 0.0909 0.0916
Brugia malayi Protein kinase domain containing protein 0.0097 0.1003 0.1011
Loa Loa (eye worm) hypothetical protein 0.0093 0.0924 0.0924
Onchocerca volvulus 0.0092 0.0909 0.233
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0535 0.5888
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Brugia malayi Carboxylesterase family protein 0.0542 0.826 0.8326
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0097 0.1003 0.1319
Echinococcus multilocularis dual specificity 0.0502 0.7603 0.7664
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Brugia malayi Cell division protein kinase 2 0.0116 0.1309 0.1319
Loa Loa (eye worm) carboxylesterase 0.0542 0.826 0.826
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Brugia malayi hypothetical protein 0.0644 0.9921 1
Onchocerca volvulus Putative endochitinase 0.009 0.0887 0.2052
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0324 0.0327
Entamoeba histolytica protein kinase domain containing protein 0.0502 0.7603 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0116 0.1309 0.1721
Trichomonas vaginalis protein kinase atmrk1, putative 0.0116 0.1309 0.1721
Echinococcus multilocularis hypothetical protein 0.0111 0.123 0.1239
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Trypanosoma brucei protein kinase, putative 0.0116 0.1309 0.1721
Loa Loa (eye worm) hypothetical protein 0.0119 0.1358 0.1358
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.0909 0.0916
Schistosoma mansoni neuroligin 3 (S09 family) 0.0092 0.0909 0.0916
Mycobacterium tuberculosis Carboxylesterase LipT 0.0092 0.0909 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0092 0.0909 0.0916
Echinococcus granulosus acetylcholinesterase 0.0542 0.826 0.8326
Brugia malayi Carboxylesterase family protein 0.0092 0.0909 0.0916
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0502 0.7603 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0092 0.0909 0.0916
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus granulosus dual specificity 0.0097 0.1003 0.1011
Echinococcus multilocularis neuroligin 0.0092 0.0909 0.0916
Brugia malayi GSG2 0.0644 0.9921 1
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1309 0.1721
Echinococcus granulosus BC026374 protein S09 family 0.0092 0.0909 0.0916
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Plasmodium falciparum conserved protein, unknown function 0.0128 0.1501 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis dual specificity 0.0502 0.7603 0.7664
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0502 0.7603 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0324 0.0327
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis dual specificity 0.0502 0.7603 0.7664
Schistosoma mansoni hypothetical protein 0.0644 0.9921 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0644 0.9921 1
Mycobacterium tuberculosis Possible chitinase 0.0069 0.0535 0.3608
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Loa Loa (eye worm) carboxylesterase 0.0092 0.0909 0.0909
Loa Loa (eye worm) hypothetical protein 0.0128 0.1501 0.1501
Echinococcus granulosus serine:threonine protein kinase haspin 0.0644 0.9921 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0116 0.1309 0.1319
Entamoeba histolytica protein kinase, putative 0.0502 0.7603 1
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.1309 0.1319
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1003 0.1011
Entamoeba histolytica protein kinase domain containing protein 0.0097 0.1003 0.1319
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Mycobacterium ulcerans carboxylesterase, LipT 0.0092 0.0909 1
Schistosoma mansoni hypothetical protein 0.0111 0.123 0.1239
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0324 0.0327
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0116 0.1309 0.1721
Echinococcus granulosus neuroligin 0.0092 0.0909 0.0916
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Brugia malayi endochitinase 0.0081 0.0729 0.0734
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Brugia malayi Carboxylesterase family protein 0.0092 0.0909 0.0916
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0092 0.0909 0.0916
Leishmania major serine/threonine kinase-like protein, putative 0.0116 0.1309 0.1721
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1309 0.1721
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0324 0.3567
Giardia lamblia Kinase, CMGC DYRK 0.0502 0.7603 1
Trichomonas vaginalis G protein-coupled receptor kinase, putative 0.0116 0.1309 0.1721
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis CMGC family protein kinase 0.0502 0.7603 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0128 0.1501 0.1513
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Schistosoma mansoni BC026374 protein (S09 family) 0.0092 0.0909 0.0916
Onchocerca volvulus Huntingtin homolog 0.0119 0.1358 0.8143
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0097 0.1003 0.1003
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Trichomonas vaginalis serine/threonine kinase, putative 0.0116 0.1309 0.1721
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0644 0.9921 1
Echinococcus granulosus carboxylesterase 5A 0.0542 0.826 0.8326
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0128 0.1501 0.1513
Echinococcus multilocularis dual specificity 0.0097 0.1003 0.1011
Onchocerca volvulus 0.0128 0.1501 1
Onchocerca volvulus Putative endochitinase 0.009 0.0887 0.2052
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0116 0.1309 0.1309
Loa Loa (eye worm) hypothetical protein 0.0093 0.0924 0.0924
Onchocerca volvulus Huntingtin homolog 0.0119 0.1358 0.8143
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0324 0.0426
Echinococcus granulosus serine:threonine protein kinase haspin 0.0644 0.9921 1
Brugia malayi endochitinase 0.009 0.0887 0.0894
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Brugia malayi Carboxylesterase family protein 0.0542 0.826 0.8326
Schistosoma mansoni acetylcholinesterase 0.0092 0.0909 0.0916
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0111 0.123 0.1239
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Onchocerca volvulus 0.0128 0.1501 1
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Onchocerca volvulus Putative endochitinase 0.009 0.0887 0.2052
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0116 0.1309 0.1309
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Loa Loa (eye worm) chitinase I 0.0081 0.0729 0.0729
Echinococcus multilocularis acetylcholinesterase 0.0542 0.826 0.8326
Trichomonas vaginalis spcc417.12 protein, putative 0.0092 0.0909 0.1195
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0502 0.7603 0.7664
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0502 0.7603 1
Echinococcus granulosus para nitrobenzyl esterase 0.0092 0.0909 0.0916
Schistosoma mansoni hypothetical protein 0.0128 0.1501 0.1513
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0116 0.1309 0.1721
Entamoeba histolytica chitinase, putative 0.0081 0.0729 0.0958
Brugia malayi Endochitinase 0.009 0.0887 0.0894
Mycobacterium ulcerans chitinase/cellulase 0.0069 0.0535 0.5888
Toxoplasma gondii hypothetical protein 0.0128 0.1501 0.1974
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0097 0.1003 0.1319
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0116 0.1309 0.1721
Loa Loa (eye worm) hypothetical protein 0.0092 0.0909 0.0909
Loa Loa (eye worm) acetylcholinesterase 1 0.0542 0.826 0.826
Entamoeba histolytica protein kinase, putative 0.0097 0.1003 0.1319
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.1309 0.1721
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0116 0.1309 0.1721
Echinococcus multilocularis carboxylesterase 5A 0.0542 0.826 0.8326
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Onchocerca volvulus 0.0092 0.0909 0.233
Loa Loa (eye worm) haspin protein kinase 0.0644 0.9921 0.9921
Trichomonas vaginalis CAMK family protein kinase 0.0116 0.1309 0.1721
Loa Loa (eye worm) hypothetical protein 0.0119 0.1358 0.1358
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0502 0.7603 0.7603
Leishmania major chitinase 0.0081 0.0729 0.0958
Trichomonas vaginalis AGC family protein kinase 0.0116 0.1309 0.1721

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells asayed by the incorporation of radioactive thymidine into DNA ChEMBL. 6205151
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive uridine into RNA ChEMBL. 6205151
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive leucine into protein ChEMBL. 6205151
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells asayed by the incorporation of radioactive thymidine into DNA ChEMBL. 6205151
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive uridine into RNA ChEMBL. 6205151
IC50 (functional) > 100 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive leucine into protein ChEMBL. 6205151

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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