TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.099 | Formula: C9H11IN2O5
H donors: 3 H acceptors: 4 LogP: -1.14 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CC1OC(C(C1O)O)n1cc(I)c(=O)[nH]c1=O
InChi: 1S/C9H11IN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)
InChiKey: OSPWDMZLKBWHML-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
Toxoplasma gondii	proteasome subunit beta type, putative	0.0075	0.2568	0.6396
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.0336	0.0371
Schistosoma mansoni	caspase-7 (C14 family)	0.0224	0.9072	0.9072
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.0336	0.0336
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Echinococcus multilocularis	caspase 2	0.0224	0.9072	0.904
Echinococcus granulosus	apoptotic protease activating factor 1	0.0121	0.4566	0.4566
Trypanosoma cruzi	metacaspase 5, putative	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Echinococcus granulosus	caspase 8	0.0104	0.3826	0.3826
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Trypanosoma cruzi	metacaspase 5, putative	0.0104	0.3826	1
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0075	0.2568	1
Brugia malayi	Proteasome A-type and B-type family protein	0.0075	0.2568	0.2831
Plasmodium vivax	metacaspase 1, putative	0.0104	0.3826	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0336	0.0879
Trypanosoma cruzi	metacaspase, putative	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0075	0.2568	0.6713
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Onchocerca volvulus		0.0121	0.4566	0.5033
Leishmania major	proteasome beta 5 subunit, putative	0.0075	0.2568	0.6396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Plasmodium falciparum	metacaspase-like protein	0.0104	0.3826	1
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0075	0.2568	0.5
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0075	0.2568	0.6396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Onchocerca volvulus		0.0023	0.0336	0.0371
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0336	0.0371
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0075	0.2568	0.2568
Plasmodium vivax	hypothetical protein, conserved	0.0104	0.3826	1
Onchocerca volvulus		0.0023	0.0336	0.0371
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0336	0.0879
Brugia malayi	hypothetical protein	0.0121	0.4566	0.5033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trypanosoma cruzi	metacaspase, putative	0.0104	0.3826	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0075	0.2568	0.6713
Schistosoma mansoni	hypothetical protein	0.0121	0.4566	0.4566
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0104	0.3826	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0104	0.3826	0.4217
Loa Loa (eye worm)	hypothetical protein	0.0121	0.4566	0.5033
Onchocerca volvulus		0.0023	0.0336	0.0371
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.0336	0.0371
Trypanosoma brucei	Metacaspase-4	0.0104	0.3826	1
Trypanosoma brucei	metacaspase MCA2	0.0104	0.3826	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0336	0.0336
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0336	0.0371
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.0336	0.0371
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Echinococcus granulosus	caspase 3	0.0142	0.5493	0.5493
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Onchocerca volvulus		0.0023	0.0336	0.0371
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Plasmodium falciparum	metacaspase 1	0.0104	0.3826	1
Echinococcus multilocularis	caspase 3	0.0142	0.5493	0.5336
Onchocerca volvulus		0.0023	0.0336	0.0371
Echinococcus multilocularis	caspase 8	0.0104	0.3826	0.3611
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0245	1	1
Echinococcus granulosus	cathepsin l1	0.0023	0.0336	0.0336
Trypanosoma cruzi	metacaspase, putative	0.0104	0.3826	1
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Plasmodium falciparum	proteasome subunit beta type-5	0.0075	0.2568	0.6396
Schistosoma mansoni	caspase-3 (C14 family)	0.0245	1	1
Loa Loa (eye worm)	hypothetical protein	0.0224	0.9072	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0104	0.3826	1
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0336	0.0371
Echinococcus granulosus	caspase	0.0245	1	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0336	0.0879
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0121	0.4566	0.4377
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0075	0.2568	0.6396
Onchocerca volvulus		0.0023	0.0336	0.0371
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0336	0.1309
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.0336	0.0336
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.0336	0.0879
Loa Loa (eye worm)	fibroinase	0.0023	0.0336	0.0371
Loa Loa (eye worm)	ctsf protein	0.0023	0.0336	0.0371
Echinococcus multilocularis	caspase	0.0245	1	1
Echinococcus granulosus	proteasome prosome macropain	0.0075	0.2568	0.2568
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0075	0.2568	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Trypanosoma cruzi	metacaspase, putative	0.0104	0.3826	1
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0075	0.2568	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.3826	1
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0336	0.1309
Onchocerca volvulus		0.0023	0.0336	0.0371
Trypanosoma brucei	metacaspase 5, putative	0.0104	0.3826	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.3826	0.4217
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0336	0.0371
Onchocerca volvulus	Cell death protein 3 homolog	0.0224	0.9072	1
Trypanosoma brucei	metacaspase MCA3	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0336	0.0336
Schistosoma mansoni	caspase-7 (C14 family)	0.0245	1	1
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0075	0.2568	0.231
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0075	0.2568	0.6713
Trypanosoma brucei	metacaspase	0.0104	0.3826	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Loa Loa (eye worm)	cysteine protease	0.0023	0.0336	0.0371
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0075	0.2568	0.2831
Leishmania major	metacaspase, putative	0.0104	0.3826	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0104	0.3826	0.3826
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0336	0.1309
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Brugia malayi	Cell death protein 3 precursor	0.0224	0.9072	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0336	0.0879
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0336	0.0879
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0104	0.3826	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0104	0.3826	1
Mycobacterium ulcerans	proteasome PrcB	0.0075	0.2568	0.5
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0336	0.0371
Echinococcus granulosus	caspase 2	0.0224	0.9072	0.9072

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative susceptibility (binding)	= 2.3	Susceptibility of the compound to thymidine phosphorylase (ThdPase) at a substrate concentration of 1.0 mM	ChEMBL.	12617910

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: 384921

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 288898