TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.178 | Formula: C12H15IN4O2
H donors: 2 H acceptors: 1 LogP: 1.13 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=CN1CCOc2c1cc(cc2)NC1=NCCN1.I
InChi: 1S/C12H14N4O2.HI/c17-8-16-5-6-18-11-2-1-9(7-10(11)16)15-12-13-3-4-14-12;/h1-2,7-8H,3-6H2,(H2,13,14,15);1H
InChiKey: OAOAYDSMNIVHLI-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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0111	0.009
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0036	0.0054	0.0038
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0054	0.5
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0315	0.1505	0.6949
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0036	0.0054	0.0251
Echinococcus granulosus	hyperpolarization activated cyclic	0.0054	0.0147	0.0127
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0494	0.2283
Echinococcus multilocularis	cAMP dependent protein kinase type I beta	0.0036	0.0054	0.0033
Brugia malayi	Kinesin motor domain containing protein	0.0254	0.1184	0.5466
Schistosoma mansoni	voltage-gated potassium channel	0.0297	0.1412	0.1605
Trypanosoma cruzi	cyclic nucleotide-binding domain containing protein, putative	0.0036	0.0054	1
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0036	0.0054	1
Leishmania major	hypothetical protein, unknown function	0.0036	0.0054	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0126	0.0583
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.0036	0.0054	0.0038
Brugia malayi	Egg laying defective protein 4	0.0036	0.0054	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0045	0.0205
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0147	0.082
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0036	0.0054	0.0033
Echinococcus multilocularis	cAMP dependent protein kinase regulatory	0.0036	0.0054	0.0033
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0021	0.3871
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0036	0.0054	0.0033
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0054	0.0038
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0054	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0079	0.0277	0.0257
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0036	0.0054	0.046
Echinococcus multilocularis	cAMP dependent protein kinase type II regulatory	0.0036	0.0054	0.0033
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.0091	0.008
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0054	0.0147	0.0681
Plasmodium falciparum	kinesin-5	0.0254	0.1184	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0111	0.009
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0054	0.0038
Treponema pallidum	cyclic nucleotide binding protein	0.0036	0.0054	0.5
Plasmodium falciparum	cAMP-dependent protein kinase regulatory subunit	0.0036	0.0054	0.046
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0045	0.0205
Leishmania major	cyclic nucleotide-binding protein-like protein	0.0036	0.0054	1
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0036	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0315	0.1505	0.1713
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0036	0.0054	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0054	0.0038
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0021	0.0178
Echinococcus granulosus	cAMP dependent protein kinase type II regulatory	0.0036	0.0054	0.0033
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0036	0.0054	0.0033
Schistosoma mansoni	voltage-gated potassium channel	0.0297	0.1412	0.1605
Trypanosoma cruzi	cAMP response protein 1	0.0036	0.0054	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0079	0.0277	0.128
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0054	0.0251
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0036	0.0054	0.5
Schistosoma mansoni	60S ribosomal protein L21	0.0043	0.0091	0.008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0111	0.0104
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0036	0.0054	0.0038
Brugia malayi	RNA, U transporter 1	0.0084	0.0304	0.1403
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0036	0.0054	1
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.0036	0.0054	0.0038
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0054	0.0147	0.0127
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0054	0.0147	0.0146
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0126	0.0583
Leishmania major	protein kinase A regulatory subunit, putative	0.0036	0.0054	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0272	0.1282	0.5917
Echinococcus multilocularis	tumor protein p63	0.0398	0.1931	0.1914
Leishmania major	protein kinase, putative	0.0036	0.0054	1
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.0036	0.0054	0.0251
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.0036	0.0054	0.0251
Schistosoma mansoni	voltage-gated potassium channel	0.0054	0.0147	0.0146
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0111	0.009
Leishmania major	hypothetical protein, conserved	0.0036	0.0054	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0054	0.0038
Trypanosoma cruzi	Flagellar Member 6	0.0036	0.0054	1
Treponema pallidum	catabolite gene activator	0.0036	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0021	0.0097
Loa Loa (eye worm)	hypothetical protein	0.005	0.0126	0.0583
Echinococcus granulosus	voltage gated potassium channel	0.0079	0.0277	0.0257
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0036	0.0054	0.046
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0054	0.0147	0.0146
Trypanosoma brucei	cAMP response protein 1, putative	0.0036	0.0054	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0036	0.0054	0.0038
Brugia malayi	Importin beta-1 subunit	0.003	0.0021	0.0097
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.0036	0.0054	0.0251
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.0036	0.0054	0.0038
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0111	0.0512
Mycobacterium ulcerans	regulatory protein	0.0036	0.0054	0.5
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0036	0.0054	0.0251
Echinococcus granulosus	cGMP dependent protein kinase	0.0036	0.0054	0.0033
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0079	0.0277	0.0257
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0036	0.0054	0.0038
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0272	0.1282	0.5917
Echinococcus multilocularis	expressed conserved protein	0.0036	0.0054	0.0033
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0054	0.0147	0.0146
Mycobacterium ulcerans	transcriptional regulatory protein	0.0036	0.0054	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0054	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1095	0.5055
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0147	0.0681
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0036	0.0054	0.0038
Echinococcus granulosus	cAMP dependent protein kinase regulatory	0.0036	0.0054	0.0033
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0126	0.0583
Leishmania major	protein kinase, putative	0.0036	0.0054	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0036	0.0054	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0079	0.0277	0.0257
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0111	0.009
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0054	0.0147	0.0681
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0036	0.0054	0.046
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0036	0.0054	0.5
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0036	0.0054	1
Onchocerca volvulus		0.0058	0.017	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0054	0.0251
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0021	0.3871
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0111	0.0104
Plasmodium falciparum	cGMP-dependent protein kinase	0.0036	0.0054	0.046
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0494	0.2283
Echinococcus granulosus	cAMP dependent protein kinase type I beta	0.0036	0.0054	0.0033
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0036	0.0054	0.0033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0111	0.0104
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0054	0.0147	0.0127
Echinococcus multilocularis	kinesin family 1	0.1952	1	1
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.0036	0.0054	0.0038
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0054	0.0147	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0277	0.128
Giardia lamblia	Kinesin-5	0.0254	0.1184	1
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0036	0.0054	0.0038
Schistosoma mansoni	kinesin eg-5	0.0254	0.1184	0.1342
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.017	0.0172
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0054	0.0147	0.0127
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0054	0.0147	0.0127
Toxoplasma gondii	kinesin motor domain-containing protein	0.0254	0.1184	1
Echinococcus multilocularis	Protein lozenge	0.0056	0.0156	0.0135
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0255	0.1189	1
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0036	0.0054	0.0038
Schistosoma mansoni	lozenge	0.0056	0.0156	0.0156
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0036	0.0054	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0054	0.5
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0054	0.0147	0.0127
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0054	0.0147	0.0127
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0054	0.0147	0.0127
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0147	0.082
Leishmania major	hypothetical protein, conserved	0.0036	0.0054	1
Echinococcus multilocularis	patatin phospholipase domain containing protein	0.0036	0.0054	0.0033
Brugia malayi	hypothetical protein	0.0443	0.2166	1
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.0036	0.0054	0.046
Brugia malayi	N-terminal motif family protein	0.0036	0.0054	0.0251
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0036	0.0054	0.046
Trypanosoma brucei	protein kinase A regulatory subunit	0.0036	0.0054	1
Mycobacterium leprae	Conserved hypothetical protein	0.0036	0.0054	0.5
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.0036	0.0054	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0045	0.0027
Treponema pallidum	cyclic nucleotide binding protein	0.0036	0.0054	0.5
Echinococcus granulosus	patatin phospholipase domain containing protein	0.0036	0.0054	0.0033
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0054	0.0147	0.0681
Entamoeba histolytica	kinesin, putative	0.0254	0.1184	0.5
Plasmodium falciparum	importin beta, putative	0.003	0.0021	0.0178
Trypanosoma brucei	Flagellar Member 6	0.0036	0.0054	1
Toxoplasma gondii	cAMP-dependent protein kinase regulatory subunit	0.0036	0.0054	0.046
Echinococcus multilocularis	snurportin 1	0.0315	0.1505	0.1487
Plasmodium vivax	kinesin-5	0.0254	0.1184	1
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.0036	0.0054	0.046
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0272	0.1282	0.1263
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0255	0.1189	1
Mycobacterium ulcerans	transmembrane transport protein	0.0036	0.0054	0.5
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0036	0.0054	0.046
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0054	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0111	0.0512
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0054	0.0147	0.0146
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0054	0.0147	0.0127
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0036	0.0054	0.0033
Trypanosoma brucei	cAMP binding protein, putative	0.0036	0.0054	1
Brugia malayi	MH2 domain containing protein	0.0121	0.0494	0.2283
Trypanosoma cruzi	protein kinase A regulatory subunit	0.0036	0.0054	1
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0054	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.0277	0.0296
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0254	0.1184	0.5466
Onchocerca volvulus		0.0443	0.2166	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.017	0.0784
Loa Loa (eye worm)	runx1	0.0056	0.0156	0.072
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.0277	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0443	0.2166	1
Trypanosoma cruzi	cAMP binding protein, putative	0.0036	0.0054	1
Plasmodium vivax	importin-beta 2, putative	0.003	0.0021	0.0178
Echinococcus granulosus	hyperpolarization activated cyclic	0.0054	0.0147	0.0127
Leishmania major	regulatory subunit of protein kinase a-like protein	0.0036	0.0054	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0036	0.0054	0.5
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0036	0.0054	0.0033
Echinococcus granulosus	snurportin 1	0.0315	0.1505	0.1487
Leishmania major	hypothetical protein, conserved	0.0036	0.0054	1
Treponema pallidum	catabolite gene activator (Crp)	0.0036	0.0054	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0272	0.1282	0.1263
Schistosoma mansoni	hypothetical protein	0.1698	0.8684	1
Echinococcus granulosus	tumor protein p63	0.0398	0.1931	0.1914
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0054	0.0147	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0443	0.2166	1
Trypanosoma cruzi	cAMP response protein 1, putative	0.0036	0.0054	1
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.0036	0.0054	0.0038
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0036	0.0054	0.0033

Activities

Activity type	Activity value	Assay description	Source	Reference
DR2 (functional)	= 6.8 ug min-1 kg-1	Antagonistic potency of the compound towards alpha-2 adrenergic receptor was determined by observing twich response of rat vas defererens after i.v. administration	ChEMBL.	2567783
Potency (functional)	= 0.0006	In vitro antagonistic activity of the compound against Alpha-1 adrenergic receptor in rat anococcygeus	ChEMBL.	2567783

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: CHEMBL542597

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1033310