TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.132 | Formula: C12H10IN3O
H donors: 2 H acceptors: 2 LogP: 2.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccncc1)Nc1ccc(cc1)I
InChi: 1S/C12H10IN3O/c13-9-1-3-10(4-2-9)15-12(17)16-11-5-7-14-8-6-11/h1-8H,(H2,14,15,16,17)
InChiKey: YKASXODVIUKVBQ-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
Loa Loa (eye worm)	tubulin alpha 2	0.0156	0.0324	0.0324
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Plasmodium vivax	tubulin alpha chain, putative	0.0272	0.1392	0.0138
Trichomonas vaginalis	tubulin gamma chain, putative	0.0267	0.1342	0.2718
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0207	0.0207
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0272	0.1392	0.1393
Trichomonas vaginalis	tubulin, putative	0.0151	0.0274	0.0555
Trichomonas vaginalis	tubulin alpha chain, putative	0.0657	0.4939	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0267	0.1342	0.2718
Echinococcus granulosus	tubulin epsilon chain	0.0267	0.1342	0.2399
Leishmania major	beta tubulin	0.0657	0.4939	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0657	0.4939	0.494
Trypanosoma brucei	epsilon tubulin	0.0267	0.1342	0.229
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0657	0.4939	1
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Loa Loa (eye worm)	tubulin beta-4 chain	0.0657	0.4939	0.494
Schistosoma mansoni	alpha tubulin	0.0272	0.1392	0.2504
Giardia lamblia	Alpha-tubulin	0.0272	0.1392	0.0138
Entamoeba histolytica	tubulin family protein	0.0657	0.4939	1
Echinococcus multilocularis	tubulin alpha chain	0.0272	0.1392	0.2504
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0657	0.4939	1
Toxoplasma gondii	beta-tubulin, putative	0.0657	0.4939	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0272	0.1392	0.2819
Brugia malayi	Tubulin gamma chain	0.0267	0.1342	0.1159
Echinococcus granulosus	Tubulin beta 2C chain	0.0657	0.4939	1
Echinococcus granulosus	tubulin alpha chain	0.0272	0.1392	0.2504
Echinococcus multilocularis	Tubulin beta 2C chain	0.0657	0.4939	1
Trypanosoma brucei	beta tubulin	0.0657	0.4939	1
Echinococcus multilocularis	hypothetical protein	0.0272	0.1392	0.2504
Trichomonas vaginalis	tubulin, putative	0.0151	0.0274	0.0555
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Loa Loa (eye worm)	tubulin beta chain	0.0657	0.4939	0.494
Trypanosoma cruzi	beta tubulin, putative	0.0657	0.4939	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0657	0.4939	1
Brugia malayi	beta-tubulin, identical	0.0657	0.4939	0.4831
Echinococcus granulosus	tubulin gamma 1 chain	0.0267	0.1342	0.2399
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0272	0.1392	0.2819
Plasmodium vivax	tubulin alpha chain, putative	0.0272	0.1392	0.0138
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Echinococcus granulosus	tubulin alpha 1C chain	0.0272	0.1392	0.2504
Toxoplasma gondii	alpha tubulin TUBA1	0.0272	0.1392	0.0138
Loa Loa (eye worm)	BEN-1 protein	0.0657	0.4939	0.494
Trypanosoma brucei	beta tubulin	0.0657	0.4939	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0267	0.1342	0.2399
Loa Loa (eye worm)	hypothetical protein	0.1056	0.8621	0.8624
Loa Loa (eye worm)	tubulin beta-2A chain	0.0657	0.4939	0.494
Echinococcus granulosus	Tubulin beta 2C chain	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit alpha	0.0272	0.1392	0.2504
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Trypanosoma brucei	alpha tubulin	0.0272	0.1392	0.2397
Echinococcus granulosus	peroxisome assembly protein 26	0.0272	0.1392	0.2504
Schistosoma mansoni	alpha tubulin	0.0272	0.1392	0.2504
Echinococcus multilocularis	Tubulin beta 2C chain	0.0657	0.4939	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.0274	0.0555
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0207	0.0207
Echinococcus multilocularis	Tubulin beta 2C chain	0.0657	0.4939	1
Loa Loa (eye worm)	tubulin alpha chain	0.0272	0.1392	0.1393
Echinococcus granulosus	Tubulin beta 2C chain	0.0657	0.4939	1
Echinococcus multilocularis	tubulin alpha chain	0.0272	0.1392	0.2504
Brugia malayi	Tubulin alpha chain	0.0272	0.1392	0.121
Giardia lamblia	Beta tubulin	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit gamma	0.0267	0.1342	0.2399
Toxoplasma gondii	alpha-tubulin I, putative	0.0272	0.1392	0.0138
Toxoplasma gondii	beta-1 tubulin, putative	0.0657	0.4939	1
Trichomonas vaginalis	tubulin, putative	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit alpha	0.0272	0.1392	0.2504
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0657	0.4939	1
Loa Loa (eye worm)	TK/ALK protein kinase	0.1205	0.9996	1
Echinococcus granulosus	tubulin alpha chain	0.0272	0.1392	0.2504
Echinococcus multilocularis	Tubulin beta 2C chain	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0272	0.1392	0.2504
Echinococcus multilocularis	tubulin beta 1 chain	0.0657	0.4939	1
Trypanosoma brucei	epsilon tubulin	0.0267	0.1342	0.229
Leishmania major	beta tubulin	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit beta	0.0657	0.4939	1
Echinococcus multilocularis	beta tubulin	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Trypanosoma brucei	beta tubulin	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Schistosoma mansoni	tubulin subunit alpha	0.0272	0.1392	0.2504
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0156	0.0324	0.0324
Echinococcus granulosus	tubulin alpha 3 chain	0.0272	0.1392	0.2504
Plasmodium vivax	tubulin beta chain, putative	0.0657	0.4939	1
Plasmodium falciparum	alpha tubulin 1	0.0272	0.1392	0.0138
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Leishmania major	beta tubulin	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Echinococcus granulosus	tubulin beta 1 chain	0.0657	0.4939	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Echinococcus granulosus	tubulin alpha chain	0.0272	0.1392	0.2504
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0156	0.0324	0.0656
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	tubulin subunit beta	0.0657	0.4939	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Echinococcus multilocularis	tubulin alpha 3 chain	0.0272	0.1392	0.2504
Loa Loa (eye worm)	beta-tubulin	0.0657	0.4939	0.494
Echinococcus granulosus	alpha tubulin	0.0272	0.1392	0.2504
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1392	0.1393
Trypanosoma brucei	tubulin gamma chain	0.0267	0.1342	0.229
Trichomonas vaginalis	tubulin beta chain, putative	0.0272	0.1392	0.2819
Echinococcus multilocularis	tubulin alpha 1C chain	0.0272	0.1392	0.2504
Schistosoma mansoni	alpha tubulin	0.0272	0.1392	0.2504
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0657	0.4939	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0151	0.0274	0.0555
Plasmodium falciparum	tubulin beta chain	0.0657	0.4939	1
Loa Loa (eye worm)	alpha-tubulin	0.0272	0.1392	0.1393
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0151	0.0274	0.0555
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Leishmania major	beta tubulin	0.0657	0.4939	1
Trypanosoma brucei	alpha tubulin	0.0272	0.1392	0.2397
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	tubulin subunit TubB	0.0272	0.1392	0.2504
Trypanosoma brucei	beta tubulin	0.0267	0.1342	0.229
Loa Loa (eye worm)	tubulin alpha chain	0.0272	0.1392	0.1393
Giardia lamblia	Beta tubulin	0.0657	0.4939	1
Loa Loa (eye worm)	tubulin gamma chain	0.0267	0.1342	0.1343
Echinococcus multilocularis	tubulin alpha chain	0.0272	0.1392	0.2504
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.0274	0.0555
Brugia malayi	Tubulin beta-1 chain	0.0657	0.4939	0.4831
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Brugia malayi	Tubulin alpha-2 chain	0.0272	0.1392	0.121
Leishmania major	beta tubulin	0.0657	0.4939	1
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	tubulin alpha	0.0267	0.1342	0.2399
Leishmania major	beta tubulin	0.0657	0.4939	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0272	0.1392	0.2819
Trypanosoma brucei	beta tubulin	0.0657	0.4939	1
Toxoplasma gondii	beta tubulin	0.0657	0.4939	1
Loa Loa (eye worm)	alpha-tubulin	0.0272	0.1392	0.1393
Echinococcus multilocularis	tubulin alpha 1C chain	0.0272	0.1392	0.2504
Echinococcus multilocularis	tubulin subunit TubB	0.0272	0.1392	0.2504
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0207	0.0207
Echinococcus multilocularis	tubulin epsilon chain	0.0267	0.1342	0.2399
Echinococcus multilocularis	tubulin alpha chain	0.0272	0.1392	0.2504
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Echinococcus granulosus	beta tubulin	0.0657	0.4939	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Loa Loa (eye worm)	BEN-1 protein	0.0657	0.4939	0.494
Entamoeba histolytica	tubulin family protein	0.0657	0.4939	1
Brugia malayi	tubulin alpha chain - mouse	0.0272	0.1392	0.121
Leishmania major	beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	tubulin alpha chain	0.0272	0.1392	0.2504
Loa Loa (eye worm)	tubulin alpha 2	0.0156	0.0324	0.0324
Trypanosoma brucei	epsilon tubulin	0.0267	0.1342	0.229
Echinococcus multilocularis	Tubulin beta 2C chain	0.0657	0.4939	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0324	0.0324
Onchocerca volvulus		0.0151	0.0274	1
Echinococcus granulosus	tubulin alpha chain	0.0272	0.1392	0.2504
Brugia malayi	tubulin alpha-2 chain	0.0272	0.1392	0.121
Echinococcus multilocularis	tubulin alpha 3 chain	0.0272	0.1392	0.2504
Giardia lamblia	Beta tubulin	0.0657	0.4939	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0272	0.1392	0.2504
Echinococcus multilocularis	tubulin alpha	0.0267	0.1342	0.2399
Giardia lamblia	Alpha-tubulin	0.0272	0.1392	0.0138
Leishmania major	beta tubulin	0.0657	0.4939	1
Plasmodium falciparum	alpha tubulin 2	0.0272	0.1392	0.0138
Echinococcus granulosus	tubulin beta 4A class IVa	0.0657	0.4939	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0272	0.1392	0.0138
Trypanosoma cruzi	alpha tubulin, putative	0.0272	0.1392	0.0138
Echinococcus granulosus	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Echinococcus granulosus	Tubulin alpha 1 chain	0.0272	0.1392	0.2504
Trypanosoma brucei	alpha tubulin	0.0272	0.1392	0.2397
Echinococcus multilocularis	tubulin alpha chain	0.0272	0.1392	0.2504
Leishmania major	alpha tubulin	0.0272	0.1392	0.0138
Echinococcus multilocularis	beta tubulin	0.0657	0.4939	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0151	0.0274	0.0555
Brugia malayi	Tubulin alpha-2 chain	0.0272	0.1392	0.121
Echinococcus granulosus	Tubulin beta 2C chain	0.0657	0.4939	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0272	0.1392	0.2504
Schistosoma mansoni	tubulin subunit epsilon	0.0267	0.1342	0.2399
Trichomonas vaginalis	tubulin alpha chain, putative	0.0267	0.1342	0.2718
Echinococcus multilocularis	tubulin subunit beta	0.0657	0.4939	1
Trypanosoma brucei	alpha tubulin	0.0272	0.1392	0.2397
Brugia malayi	Tubulin beta chain	0.0151	0.0274	0.0068
Entamoeba histolytica	tubulin alpha chain, putative	0.0272	0.1392	0.0138
Brugia malayi	alpha-tubulin	0.0272	0.1392	0.121

Activities

Activity type	Activity value	Assay description	Source	Reference
MAD (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration	ChEMBL.	2299648
MAD (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration	ChEMBL.	2299648
MED (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration	ChEMBL.	2299648
MED (functional)	> 300 mg kg-1	Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration	ChEMBL.	2299648

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: CHEMBL169922

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 289685