TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 333.192 | Formula: C10H12IN3S
H donors: 0 H acceptors: 2 LogP: 3.04 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC[n+]1cccc(c1)c1snc(n1)C.[I-]
InChi: 1S/C10H12N3S.HI/c1-3-13-6-4-5-9(7-13)10-11-8(2)12-14-10;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChiKey: HYUWKPHQDUYERT-UHFFFAOYSA-M

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
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0044	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0065	0.011	1
Mycobacterium tuberculosis	Diacylglycerol kinase	0.0065	0.011	0.0142
Echinococcus granulosus	tumor protein p63	0.0383	0.1001	0.1001
Trichomonas vaginalis	set domain proteins, putative	0.0278	0.0705	1
Schistosoma mansoni	hypothetical protein	0.0065	0.011	0.011
Brugia malayi	Ceramide kinase	0.0065	0.011	0.0106
Trichomonas vaginalis	bmru protein, putative	0.0065	0.011	0.0987
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.2034	0.5638	0.5646
Loa Loa (eye worm)	hypothetical protein	0.005	0.0066	0.0022
Echinococcus granulosus	protein kinase c iota type	0.0125	0.0277	0.0277
Schistosoma mansoni	cellular tumor antigen P53	0.0056	0.0083	0.0083
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0065	0.011	1
Schistosoma mansoni	atypical protein kinase C	0.0125	0.0277	0.0277
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0125	0.0277	0.0277
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0065	0.011	0.011
Plasmodium falciparum	diacylglycerol kinase, putative	0.0065	0.011	0.5
Brugia malayi	Protein kinase c protein 2	0.0125	0.0277	0.0279
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0044	0.0038
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0024	0.0024
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.0277	0.0277
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0065	0.011	1
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.0065	0.011	0.1958
Echinococcus multilocularis	sphingosine kinase 1	0.168	0.4645	0.4645
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0125	0.0277	0.0235
Brugia malayi	Bromodomain containing protein	0.0088	0.0173	0.0171
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.0122	0.0122
Brugia malayi	Pre-SET motif family protein	0.0035	0.0024	0.0017
Mycobacterium ulcerans	diacylglycerol kinase	0.0065	0.011	0.0142
Brugia malayi	beta-lactamase family protein	0.0042	0.0044	0.0038
Schistosoma mansoni	unc-13 (munc13)	0.0125	0.0277	0.0277
Onchocerca volvulus		0.0125	0.0277	0.3714
Schistosoma mansoni	hypothetical protein	0.0125	0.0277	0.0277
Plasmodium falciparum	diacylglycerol kinase, putative	0.0065	0.011	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0024	0.0024
Onchocerca volvulus		0.0042	0.0044	0.0297
Loa Loa (eye worm)	hypothetical protein	0.168	0.4645	0.4644
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0125	0.0277	0.0235
Brugia malayi	Raf kinase	0.3462	0.9649	1
Schistosoma mansoni	protein kinase C	0.0125	0.0277	0.0277
Brugia malayi	Pre-SET motif family protein	0.0244	0.0611	0.0626
Onchocerca volvulus		0.0042	0.0044	0.0297
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Trichomonas vaginalis	bmru protein, putative	0.0065	0.011	0.0987
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0125	0.0277	0.0277
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0044	0.0044
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.002	0.002
Brugia malayi	protein kinase C3,putative	0.0125	0.0277	0.0279
Leishmania major	hypothetical protein, conserved	0.0065	0.011	1
Schistosoma mansoni	vav2	0.0125	0.0277	0.0277
Brugia malayi	beta-lactamase	0.0042	0.0044	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Trypanosoma brucei	diacylglycerol kinase, putative	0.0065	0.011	1
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.0277	0.0277
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0125	0.0277	0.0235
Echinococcus multilocularis	protein kinase c epsilon type	0.0125	0.0277	0.0277
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0065	0.011	0.011
Brugia malayi	Diacylglycerol kinase protein 2	0.0065	0.011	0.0106
Echinococcus granulosus	protein kinase c eta type	0.0125	0.0277	0.0277
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0065	0.011	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0048	0.006	0.0016
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0244	0.0611	0.0572
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0065	0.011	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Schistosoma mansoni	diacylglycerol kinase theta	0.0191	0.0461	0.0461
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0065	0.011	0.0066
Plasmodium vivax	diacylglycerol kinase, putative	0.0065	0.011	1
Brugia malayi	protein kinase C II.	0.0125	0.0277	0.0279
Entamoeba histolytica	hypothetical protein, conserved	0.168	0.4645	1
Onchocerca volvulus		0.0125	0.0277	0.3714
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.0277	0.0277
Entamoeba histolytica	diacylglycerol kinase, putative	0.0191	0.0461	0.0775
Schistosoma mansoni	protein kinase C mu	0.0125	0.0277	0.0277
Echinococcus multilocularis	protein kinase c iota type	0.0125	0.0277	0.0277
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0065	0.011	0.0987
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0044	0.5
Toxoplasma gondii	ABC1 family protein	0.0042	0.0044	0.0464
Loa Loa (eye worm)	ceramide kinase	0.0065	0.011	0.0066
Schistosoma mansoni	sphingosine kinase A B	0.168	0.4645	0.4645
Mycobacterium tuberculosis	Conserved protein	0.168	0.4645	1
Trichomonas vaginalis	sphingosine kinase, putative	0.0065	0.011	0.0987
Echinococcus multilocularis	unc 13 (munc13)	0.0125	0.0277	0.0277
Trypanosoma cruzi	Sphingosine kinase	0.0065	0.011	1
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0125	0.0277	0.0277
Echinococcus multilocularis	myotubularin protein 13	0.0125	0.0277	0.0277
Echinococcus multilocularis	N chimaerin	0.0125	0.0277	0.0277
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0044	0.0044
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0125	0.0277	0.0235
Trichomonas vaginalis	sphingosine kinase, putative	0.0065	0.011	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Leishmania major	diacylglycerol kinase, putative	0.0065	0.011	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0055	0.008	0.008
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.0065	0.011	0.1958
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0044	0.0044
Brugia malayi	RhoGAP domain containing protein	0.0125	0.0277	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0055	0.008	0.008
Leishmania major	diacylglycerol kinase-like protein	0.0065	0.011	1
Mycobacterium ulcerans	hypothetical protein	0.168	0.4645	1
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.0065	0.011	1
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Echinococcus granulosus	N chimaerin	0.0125	0.0277	0.0277
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.011	1
Echinococcus multilocularis	tumor protein p63	0.0383	0.1001	0.1001
Schistosoma mansoni	rac gtpase activating protein	0.0125	0.0277	0.0277
Onchocerca volvulus		0.0125	0.0277	0.3714
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0191	0.0461	0.0461
Brugia malayi	RhoGAP domain containing protein	0.0125	0.0277	0.0279
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0065	0.011	0.0066
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0125	0.0277	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0125	0.0277	0.0277
Onchocerca volvulus		0.0065	0.011	0.1255
Echinococcus multilocularis	protein kinase c eta type	0.0125	0.0277	0.0277
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0065	0.011	1
Echinococcus granulosus	unc 13 munc13	0.0125	0.0277	0.0277
Echinococcus granulosus	Protein kinase C brain isozyme	0.0125	0.0277	0.0277
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0125	0.0277	0.0277
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0024	0.0024
Onchocerca volvulus		0.0042	0.0044	0.0297
Brugia malayi	Protein kinase domain containing protein	0.0125	0.0277	0.0279
Schistosoma mansoni	serine/threonine protein kinase	0.3587	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Echinococcus granulosus	myotubularin protein 13	0.0125	0.0277	0.0277
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.027	0.0683	0.1388
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0065	0.011	0.011
Echinococcus granulosus	sphingosine kinase 1	0.168	0.4645	0.4645
Leishmania major	sphingosine kinase A, B, putative	0.0065	0.011	1
Brugia malayi	Pleckstrin Homology Domain	0.0125	0.0277	0.0279
Trypanosoma cruzi	Sphingosine kinase	0.0065	0.011	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0044	0.0044
Brugia malayi	Eye-specific diacylglycerol kinase	0.0065	0.011	0.0106
Onchocerca volvulus		0.0056	0.0083	0.0868
Schistosoma mansoni	bromodomain containing protein	0.0074	0.0134	0.0134
Echinococcus multilocularis	ceramide kinase	0.0065	0.011	0.011
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0125	0.0277	0.0279
Brugia malayi	diacylglycerol kinase	0.0191	0.0461	0.047
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0065	0.011	1
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.0277	0.0277
Echinococcus granulosus	protein kinase c epsilon type	0.0125	0.0277	0.0277
Loa Loa (eye worm)	raf kinase	0.357	0.9951	1
Onchocerca volvulus		0.0278	0.0705	1
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0065	0.011	0.011
Leishmania major	hypothetical protein, conserved	0.0065	0.011	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0055	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0065	0.011	0.0066
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0065	0.011	0.0987
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0125	0.0277	0.0277
Brugia malayi	C1-like domain containing protein	0.0125	0.0277	0.0279
Brugia malayi	RhoGEF domain containing protein	0.0125	0.0277	0.0279
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0044	0.2368
Schistosoma mansoni	sphingoid long chain base kinase	0.168	0.4645	0.4645
Toxoplasma gondii	diacylglycerol kinase, putative	0.0191	0.0461	1
Schistosoma mansoni	unc-13 (munc13)	0.0125	0.0277	0.0277
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0065	0.011	0.011
Echinococcus multilocularis	raf serine:threonine protein kinase	0.3587	1	1
Entamoeba histolytica	hypothetical protein	0.0125	0.0277	0.0369
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0125	0.0277	0.0277
Plasmodium vivax	diacylglycerol kinase, putative	0.0065	0.011	1
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.011	0.0987
Schistosoma mansoni	diacylglycerol kinase theta	0.0191	0.0461	0.0461
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0065	0.011	0.011
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0159	0.0115
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0055	0.008	0.008
Echinococcus granulosus	Rac GTPase activating protein 1	0.0125	0.0277	0.0277
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0065	0.011	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0083	0.0039
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.0122	0.0122
Brugia malayi	beta-lactamase family protein	0.0042	0.0044	0.0038
Brugia malayi	Bromodomain containing protein	0.0045	0.0052	0.0046
Schistosoma mansoni	protein kinase C mu	0.0125	0.0277	0.0277
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0125	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0052	0.0008
Brugia malayi	hypothetical protein	0.0065	0.011	0.0106
Brugia malayi	Variant SH3 domain containing protein	0.0125	0.0277	0.0279
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0125	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0191	0.0461	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0277	0.0235
Trypanosoma brucei	Sphingosine kinase	0.0065	0.011	1
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0125	0.0277	0.0277
Echinococcus granulosus	ceramide kinase	0.0065	0.011	0.011
Brugia malayi	diacylglycerol kinase	0.0191	0.0461	0.047
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0125	0.0277	0.0235
Brugia malayi	Ras association domain family 1 isoform A	0.0125	0.0277	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0191	0.0461	0.0421
Entamoeba histolytica	diacylglycerol kinase, putative	0.0191	0.0461	0.0775
Onchocerca volvulus	Ceramide kinase 1 homolog	0.0065	0.011	0.1255
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0125	0.0277	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0055	0.008	0.0036
Echinococcus granulosus	Diacylglycerol kinase theta	0.0191	0.0461	0.0461
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0065	0.011	0.0987

Activities

No activities found for this compound.

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: CHEMBL2272957

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1806866