TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 267.283 | Formula: C15H13N3O2
H donors: 2 H acceptors: 4 LogP: 2.59 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)n1nnc(c1)Cc1ccccc1O
InChi: 1S/C15H13N3O2/c19-14-7-5-13(6-8-14)18-10-12(16-17-18)9-11-3-1-2-4-15(11)20/h1-8,10,19-20H,9H2
InChiKey: BUDRRPBSPVFKRE-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1314	0.1314
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0696	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0696	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0607	0.8412	0.8412
Onchocerca volvulus	Cathepsin L homolog	0.0206	0.1314	1
Entamoeba histolytica	cysteine proteinase, putative	0.0155	0.0418	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0607	0.8412	1
Onchocerca volvulus		0.0206	0.1314	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Onchocerca volvulus		0.0206	0.1314	1
Toxoplasma gondii	cathepsin B	0.0607	0.8412	1
Onchocerca volvulus		0.0206	0.1314	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0607	0.8412	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0206	0.1314	0.1562
Onchocerca volvulus		0.0206	0.1314	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0206	0.1314	0.0935
Loa Loa (eye worm)	fibroinase	0.0206	0.1314	0.0935
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0155	0.0418	0.0418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Loa Loa (eye worm)	ctsf protein	0.0206	0.1314	0.0935
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Echinococcus granulosus	cathepsin l1	0.0155	0.0418	0.0418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0206	0.1314	0.1562
Schistosoma mansoni	cathepsin F (C01 family)	0.0206	0.1314	0.1314
Loa Loa (eye worm)	hypothetical protein	0.0696	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0607	0.8412	0.8412
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0696	1	1
Plasmodium vivax	vivapain-2	0.0206	0.1314	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0696	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0206	0.1314	0.1314
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0206	0.1314	1
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0206	0.1314	0.1314
Echinococcus multilocularis	cathepsin b	0.0696	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Loa Loa (eye worm)	cathepsin B	0.0607	0.8412	0.8343
Onchocerca volvulus		0.0206	0.1314	1
Echinococcus multilocularis	cysteine protease	0.0206	0.1314	0.1314
Schistosoma mansoni	cathepsin F (C01 family)	0.0155	0.0418	0.0418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Echinococcus multilocularis	cysteine protease	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0696	1	1
Onchocerca volvulus		0.0206	0.1314	1
Echinococcus granulosus	cathepsin b	0.0696	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0206	0.1314	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Schistosoma mansoni	cathepsin F (C01 family)	0.0206	0.1314	0.1314
Echinococcus multilocularis	cathepsin b	0.0696	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0206	0.1314	1
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1314	0.0935
Trypanosoma cruzi	cruzipain precursor, putative	0.0206	0.1314	0.1314
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.1314	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Loa Loa (eye worm)	cysteine protease	0.0206	0.1314	0.0935
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0607	0.8412	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Brugia malayi	Cathepsin L-like precursor	0.0155	0.0418	0.0418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1314	0.1562
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1314	0.1314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.0418	0.0497
Echinococcus granulosus	cathepsin b	0.0696	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0206	0.1314	0.1314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0155	0.0418	0.0497
Onchocerca volvulus		0.0206	0.1314	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1314	0.1314
Giardia lamblia	Cathepsin B precursor	0.0607	0.8412	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0206	0.1314	0.1314
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0206	0.1314	0.0935
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.1314	0.1314
Entamoeba histolytica	cysteine protease, putative	0.0206	0.1314	1
Brugia malayi	cathepsin L-like precursor	0.0155	0.0418	0.0418
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0206	0.1314	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Brugia malayi	Cathepsin L-like precursor	0.0155	0.0418	0.0418
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.1314	1
Onchocerca volvulus	Cathepsin F homolog	0.0206	0.1314	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Plasmodium vivax	vivapain-2	0.0206	0.1314	1
Echinococcus granulosus	cathepsin l1	0.0206	0.1314	0.1314
Echinococcus multilocularis	cathepsin L cysteine protease	0.0206	0.1314	0.1314
Giardia lamblia	Cathepsin B precursor	0.0607	0.8412	0.5
Giardia lamblia	Cathepsin B precursor	0.0607	0.8412	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0155	0.0418	0.0418
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0206	0.1314	0.1562
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0206	0.1314	0.1314

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1000 uM	Inhibition of human MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate	ChEMBL.	20971005
Imax (binding)	= 9 %	Inhibition of human biotinylated MIF/CD74 interaction	ChEMBL.	20971005

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

ChEMBL: CHEMBL1289008

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1263044