TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.181 | Formula: C11H15IN6O
H donors: 2 H acceptors: 3 LogP: 0.77 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Ic1nc(NCCN2CCOCC2)c2c(n1)[nH]cn2
InChi: 1S/C11H15IN6O/c12-11-16-9(8-10(17-11)15-7-14-8)13-1-2-18-3-5-19-6-4-18/h7H,1-6H2,(H2,13,14,15,16,17)
InChiKey: LOCIBKUHVURMIH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	hypothetical protein	0.0047	0.0202	0.1923
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0202	0.0439
Brugia malayi	MH2 domain containing protein	0.0118	0.0732	0.6949
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.1052	0.105
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0152	0.015
Echinococcus multilocularis	geminin	0.0167	0.11	0.1098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0002	0.0022
Loa Loa (eye worm)	MBCTL1	0.0053	0.0253	0.2406
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0732	0.6956
Brugia malayi	jmjC domain containing protein	0.0025	0.0038	0.0343
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0152	0.0989	0.0987
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0798	0.5812	0.5811
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.022	0.2091
Brugia malayi	Metabotropic glutamate receptor precursor.	0.005	0.0226	0.2127
Onchocerca volvulus		0.0093	0.0547	0.5655
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.012	0.1118
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0202	0.0439
Brugia malayi	mbt repeat family protein	0.0047	0.0205	0.1927
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0104	0.0989
Brugia malayi	jmjC domain containing protein	0.0025	0.0038	0.0343
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0093	0.0546	0.0544
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.1052	1
Echinococcus multilocularis	lysine specific demethylase 6a	0.0025	0.0038	0.0036
Echinococcus granulosus	jumonji domain containing 1A	0.0025	0.0038	0.0036
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0205	0.0202
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0185	0.1236	0.1234
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0042	0.0165	0.0163
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0093	0.0546	0.0544
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0057	0.0277	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.1085
Echinococcus multilocularis	peregrin	0.0029	0.0068	0.0066
Schistosoma mansoni	alpha glucosidase	0.0036	0.012	0.0117
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0202	0.1905
Schistosoma mansoni	hypothetical protein	0.0167	0.11	0.1098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0002	0.0022
Echinococcus multilocularis	jumonji domain containing 1A	0.0025	0.0038	0.0036
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0205	0.2101
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.012	0.496
Brugia malayi	jmjC domain containing protein	0.0025	0.0038	0.0343
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.1052	0.105
Brugia malayi	Bromodomain containing protein	0.0029	0.0068	0.0627
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0068	0.0648
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0634	0.4589	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0025	0.0038	0.0036
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0202	0.0439
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0061	0.0312	0.0309
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.2004	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.1052	0.105
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0179	0.119	0.2429
Schistosoma mansoni	jumonji domain containing protein	0.0025	0.0038	0.0036
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0202	0.0228
Echinococcus multilocularis	phd:f box containing protein	0.0025	0.0038	0.0036
Schistosoma mansoni	phosphatidylserine receptor	0.0025	0.0038	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0965	0.9174
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.0904	0.1765
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0202	0.0197
Schistosoma mansoni	jumonji domain containing protein	0.0133	0.0844	0.0842
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0205	0.1944
Echinococcus multilocularis	JmjC domain containing protein 4	0.0025	0.0038	0.0036
Schistosoma mansoni	metabotropic glutamate receptor	0.0042	0.0165	0.0163
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.1085
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.2004	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0068	0.3671
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0253	0.2406
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0205	0.0202
Loa Loa (eye worm)	jmjC domain-containing protein	0.0093	0.0546	0.5188
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0068	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0202	0.1923
Echinococcus granulosus	thymidine phosphorylase	0.0634	0.4589	0.4588
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0025	0.0038	0.0036
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0253	0.2389
Echinococcus multilocularis	thymidine phosphorylase	0.0634	0.4589	0.4588
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0114	0.0032
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Schistosoma mansoni	alpha-glucosidase	0.0138	0.0885	0.0883
Onchocerca volvulus		0.0149	0.0965	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.022	0.2073
Onchocerca volvulus		0.0047	0.0202	0.2077
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0205	0.0202
Mycobacterium ulcerans	thymidine phosphorylase	0.0634	0.4589	1
Loa Loa (eye worm)	glutamate receptor	0.005	0.0226	0.2144
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0068	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0038	0.0364
Onchocerca volvulus		0.0047	0.0205	0.2101
Schistosoma mansoni	metabotropic glutamate receptor	0.0024	0.0035	0.0033
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0205	0.0202
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0068	0.3936
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0038	0.0364
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Echinococcus granulosus	lysine specific demethylase 6a	0.0025	0.0038	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0202	0.1923
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0202	0.0197
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0202	0.0197
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0205	0.0202
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.022	0.2073
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0179	0.119	1
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0202	0.0197
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.012	0.1137
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0068	0.3936
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.1052	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0202	0.1905
Echinococcus multilocularis	lysine specific demethylase 5A	0.0093	0.0546	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.1085
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0093	0.0546	0.0544
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0185	0.1236	0.1234
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0114	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0068	0.3671
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0253	0.0251
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.2004	1
Brugia malayi	jmjC domain containing protein	0.0152	0.0989	0.9396
Schistosoma mansoni	alpha-glucosidase	0.0138	0.0885	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0205	0.1944
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0045	0.0191	0.1794
Trypanosoma brucei	glucosidase, putative	0.0036	0.012	1
Brugia malayi	jmjC domain containing protein	0.0093	0.0546	0.5178
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0202	0.0197
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0002	0.0022
Echinococcus granulosus	peregrin	0.0029	0.0068	0.0066
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0202	0.0197
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0002	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0312	0.2961
Echinococcus granulosus	phd:f box containing protein	0.0025	0.0038	0.0036
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0202	0.0228
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0152	0.0989	0.0987
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0038	0.0364
Schistosoma mansoni	hypothetical protein	0.0029	0.0068	0.0066
Schistosoma mansoni	hypothetical protein	0.0034	0.0104	0.0102
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0205	0.0202
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0042	0.0165	0.0163
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.012	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0202	0.1905
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0202	0.0197
Brugia malayi	mbt repeat family protein	0.0047	0.0205	0.1927
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0068	0.0066
Onchocerca volvulus	Alhambra homolog	0.0029	0.0068	0.0684
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.2004	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0337	0.32
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.1085
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0002	0.0022
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0202	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0049	0.022	0.2091
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0205	0.0202
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0104	0.0969
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0002	0.0022
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.2004	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0202	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.0904	0.1791
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0253	0.0251
Loa Loa (eye worm)	hypothetical protein	0.002	0.0002	0.0022
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0179	0.119	0.2405
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.012	0.0117
Schistosoma mansoni	protein phosphatase 2C	0.0025	0.0038	0.0036
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.0904	0.7101
Loa Loa (eye worm)	jmjC domain-containing protein	0.0025	0.0038	0.0364
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.012	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.012	0.0117
Brugia malayi	PHD-finger family protein	0.0029	0.0068	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0114	0.1085
Schistosoma mansoni	phd/f-box containing protein	0.0025	0.0038	0.0036
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0114	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0732	0.6956
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0025	0.0038	0.0036
Schistosoma mansoni	hypothetical protein	0.0167	0.11	0.1098
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0038	0.0364
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0253	0.0251
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0068	0.0066
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0152	0.015
Echinococcus granulosus	JmjC domain containing protein 4	0.0025	0.0038	0.0036
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0061	0.0312	0.0309
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0253	0.0251
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0253	0.0251
Schistosoma mansoni	hypothetical protein	0.0286	0.1987	0.1985
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0114	0.5
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.012	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0002	0.0022
Brugia malayi	hypothetical protein	0.0149	0.0965	0.9172
Brugia malayi	metabotropic glutamate receptor type 2	0.0024	0.0035	0.0311
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0002	0.0022
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0297	0.2818
Echinococcus granulosus	geminin	0.0167	0.11	0.1098
Brugia malayi	jmjC domain containing protein	0.0025	0.0038	0.0343

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: CHEMBL1760287

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 1512742