TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 271.146 | Formula: C11H12Cl2N4
H donors: 1 H acceptors: 1 LogP: 2.13 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc2c1cnn2CC1=NCCN1.Cl
InChi: 1S/C11H11ClN4.ClH/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11;/h1-3,6H,4-5,7H2,(H,13,14);1H
InChiKey: MJHAMJXZSWMISX-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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Nischarin	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	nischarin	Get druggable targets OG5_133208	All targets in OG5_133208
Brugia malayi	hypothetical protein	Get druggable targets OG5_133208	All targets in OG5_133208
Echinococcus granulosus	nischarin	Get druggable targets OG5_133208	All targets in OG5_133208
Onchocerca volvulus	Nischarin homolog	Get druggable targets OG5_133208	All targets in OG5_133208
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133208	All targets in OG5_133208

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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0348	0.0358
Brugia malayi	glutaminase DH11.1	0.0301	0.3059	0.3153
Echinococcus granulosus	neuroligin	0.0061	0.0461	0.0243
Onchocerca volvulus		0.0061	0.0461	0.1531
Brugia malayi	hypothetical protein	0.0061	0.0461	0.0476
Echinococcus multilocularis	carboxylesterase 5A	0.036	0.37	0.3551
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0256	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0167	0.1612	0.1413
Echinococcus granulosus	nischarin	0.017	0.1643	0.149
Echinococcus granulosus	geminin	0.0197	0.1934	0.1798
Onchocerca volvulus		0.0061	0.0461	0.1531
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0461	0.0243
Brugia malayi	Carboxylesterase family protein	0.036	0.37	0.3814
Onchocerca volvulus	Nischarin homolog	0.0166	0.16	1
Entamoeba histolytica	hypothetical protein	0.004	0.0231	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0616	0.053
Schistosoma mansoni	hypothetical protein	0.0197	0.1934	0.1798
Brugia malayi	beta-lactamase family protein	0.0042	0.0256	0.0264
Brugia malayi	Carboxylesterase family protein	0.0061	0.0461	0.0476
Loa Loa (eye worm)	acetylcholinesterase 1	0.036	0.37	0.3744
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0461	0.0243
Trichomonas vaginalis	spcc417.12 protein, putative	0.0061	0.0461	0.0734
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1023	0.0836
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0256	0.0026
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0108	0.5
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0256	0.0154
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0113	0.1023	0.081
Brugia malayi	hypothetical protein	0.0166	0.1602	0.1651
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0256	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0061	0.0461	0.0734
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1023	0.0836
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0061	0.0461	0.0243
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0256	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1023	0.0836
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0108	0.5
Schistosoma mansoni	acetylcholinesterase	0.0061	0.0461	0.0243
Onchocerca volvulus		0.0061	0.0461	0.1531
Echinococcus granulosus	para nitrobenzyl esterase	0.0061	0.0461	0.0243
Brugia malayi	beta-lactamase	0.0042	0.0256	0.0264
Schistosoma mansoni	hypothetical protein	0.0197	0.1934	0.1798
Leishmania major	hypothetical protein, conserved	0.0042	0.0256	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0348	0.0119
Loa Loa (eye worm)	glutaminase	0.0301	0.3059	0.3076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0348	0.0123
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0075	0.0616	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Brugia malayi	Melibiase family protein	0.0075	0.0616	0.0635
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0256	0.0026
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.036	0.37	0.3663
Echinococcus granulosus	c-Jun N-terminal kinases	0.0914	0.9702	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0061	0.0461	0.0235
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0061	0.0461	0.0235
Loa Loa (eye worm)	carboxylesterase	0.036	0.37	0.3744
Brugia malayi	Muscleblind-like protein	0.0167	0.1612	0.1662
Echinococcus multilocularis	neuroligin	0.0061	0.0461	0.0235
Echinococcus granulosus	muscleblind protein	0.0167	0.1612	0.1458
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0061	0.0461	0.0843
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0256	0.0026
Mycobacterium ulcerans	glutaminase	0.0301	0.3059	1
Entamoeba histolytica	hypothetical protein	0.004	0.0231	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0348	0.0119
Echinococcus granulosus	carboxylesterase 5A	0.036	0.37	0.3663
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1612	0.1568
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0075	0.0616	0.0407
Onchocerca volvulus		0.0061	0.0461	0.1531
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0113	0.1023	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Echinococcus granulosus	acetylcholinesterase	0.036	0.37	0.3663
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Toxoplasma gondii	melibiase subfamily protein	0.0113	0.1023	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.2696	1
Echinococcus multilocularis	geminin	0.0197	0.1934	0.1743
Schistosoma mansoni	BC026374 protein (S09 family)	0.0061	0.0461	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Schistosoma mansoni	serine/threonine protein kinase	0.0914	0.9702	1
Loa Loa (eye worm)	glutaminase 2	0.0301	0.3059	0.3076
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0061	0.0461	0.0243
Brugia malayi	beta-lactamase family protein	0.0042	0.0256	0.0264
Trichomonas vaginalis	glutaminase, putative	0.0301	0.3059	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0348	0.0123
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0256	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0348	0.0123
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0914	0.9702	1
Entamoeba histolytica	hypothetical protein	0.004	0.0231	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0348	0.025
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0914	0.9702	0.9695
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0256	0.0154
Echinococcus multilocularis	acetylcholinesterase	0.036	0.37	0.3551
Brugia malayi	Carboxylesterase family protein	0.036	0.37	0.3814
Schistosoma mansoni	gliotactin	0.0061	0.0461	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1602	0.1557
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0061	0.0461	0.0243
Brugia malayi	Carboxylesterase family protein	0.0061	0.0461	0.0476
Entamoeba histolytica	hypothetical protein	0.004	0.0231	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0461	0.0368
Brugia malayi	hypothetical protein	0.004	0.0231	0.0239
Schistosoma mansoni	glutaminase	0.0301	0.3059	0.2986
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Brugia malayi	Stress-activated protein kinase jnk-1	0.0914	0.9702	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0256	0.0264
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0075	0.0616	0.1287
Echinococcus granulosus	BC026374 protein S09 family	0.0061	0.0461	0.0243
Echinococcus granulosus	acetylcholinesterase	0.036	0.37	0.3663
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0256	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0256	0.1612
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0113	0.1023	0.081
Brugia malayi	Carboxylesterase family protein	0.0061	0.0461	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1612	0.1568
Mycobacterium ulcerans	carboxylesterase, LipT	0.0061	0.0461	0.0734
Echinococcus multilocularis	nischarin	0.017	0.1643	0.1445
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0348	0.0123
Echinococcus multilocularis	acetylcholinesterase	0.036	0.37	0.3551
Brugia malayi	Carboxylesterase family protein	0.0061	0.0461	0.0476
Loa Loa (eye worm)	carboxylesterase	0.0061	0.0461	0.0368
Brugia malayi	hypothetical protein	0.0028	0.0108	0.0112
Echinococcus multilocularis	para nitrobenzyl esterase	0.0061	0.0461	0.0235
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0256	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0256	1
Loa Loa (eye worm)	carboxylesterase	0.0061	0.0461	0.0368
Echinococcus multilocularis	muscleblind protein	0.0167	0.1612	0.1413
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0061	0.0461	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0348	0.0123
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0113	0.1023	0.0836
Onchocerca volvulus		0.0061	0.0461	0.1531
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0256	0.0154
Loa Loa (eye worm)	hypothetical protein	0.036	0.37	0.3744
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0061	0.0461	0.0843
Loa Loa (eye worm)	hypothetical protein	0.036	0.37	0.3744

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5150 nM	Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by scintillation counting	ChEMBL.	22172308

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: CHEMBL1928319

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 1598362