TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 237.126 | Formula: C9H14Cl2N2O--
H donors: 3 H acceptors: 1 LogP: 2.63 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: NCc1c(C)c(N)cc(c1O)C.[Cl-].[Cl-]
InChi: 1S/C9H14N2O.2ClH/c1-5-3-8(11)6(2)7(4-10)9(5)12;;/h3,12H,4,10-11H2,1-2H3;2*1H/p-2
InChiKey: FVTMPLIDHQOSCO-UHFFFAOYSA-L

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
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0007	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0079	1
Echinococcus multilocularis	protein patched	0.0047	0.002	0.0333
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0002	0.0003
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0002	0.0007
Echinococcus granulosus	expressed conserved protein	0.0103	0.0057	0.1553
Brugia malayi	CHE-14 protein	0.0047	0.002	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0002	0.0249
Schistosoma mansoni	ap endonuclease	0.0021	0.0002	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0007	0.0835
Echinococcus multilocularis	tumor protein p63	0.0392	0.025	0.423
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.0062	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0047	0.002	0.2479
Schistosoma mansoni	hypothetical protein	0.004	0.0015	0.238
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0007	0.0741
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.0062	0.0086
Brugia malayi	hypothetical protein	0.004	0.0015	0.0021
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0012	0.0198
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0007	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0062	0.7863
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0002	0.3377
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0002	0.5
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0111	0.0063	0.993
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0063	0.7944
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0002	0.0008
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0015	0.0409
Brugia malayi	Niemann-Pick C1 protein precursor	0.011	0.0061	0.0085
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.002	1
Echinococcus multilocularis	expressed conserved protein	0.0103	0.0057	0.0964
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0007	0.0009
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0007	0.0741
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0012	0.0016
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0002	0.0282
Entamoeba histolytica	hypothetical protein	0.004	0.0015	0.2156
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0007	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0039	0.4906
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0012	0.0198
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0007	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0007	1
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0079	0.0073
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0002	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0027	0.3349
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0007	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0002	0.0249
Schistosoma mansoni	hypothetical protein	0.0045	0.0019	0.2941
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0063	0.7944
Echinococcus multilocularis	Niemann Pick C1 protein	0.011	0.0061	0.104
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0002	0.0038
Echinococcus multilocularis	sterol regulatory element binding protein	0.0047	0.002	0.0333
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0012	0.0319
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0007	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0012	0.1858
Brugia malayi	Telomerase reverse transcriptase	1.0897	0.7265	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.1476
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.4095	0.2723	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.0077	0.9707
Echinococcus multilocularis	Niemann Pick C1 protein	0.0157	0.0093	0.1571
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0002	0.0008
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0002	0.0008
Toxoplasma gondii	exonuclease III APE	0.0021	0.0002	0.0008
Loa Loa (eye worm)	hypothetical protein	0.011	0.0061	0.7745
Brugia malayi	hypothetical protein	0.0112	0.0063	0.0087
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0007	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0027	0.337
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0007	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0079	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.4095	0.2723	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0001	0.1856
Leishmania major	telomerase reverse transcriptase, putative	0.4095	0.2723	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0001	0.1856
Schistosoma mansoni	hypothetical protein	0.0045	0.0019	0.2941
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0002	0.0554
Echinococcus granulosus	Niemann Pick C1 protein	0.0157	0.0093	0.253
Brugia malayi	MH2 domain containing protein	0.0133	0.0077	0.0106
Brugia malayi	hypothetical protein	0.0112	0.0063	0.0087
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0002	0.0061
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0002	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0007	1
Echinococcus multilocularis	protection of telomeres protein 1	0.0567	0.0367	0.6209
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0002	0.0008
Echinococcus granulosus	Protein patched homolog 1	0.0047	0.002	0.0536
Schistosoma mansoni	hypothetical protein	0.0076	0.0039	0.6176
Schistosoma mansoni	hypothetical protein	0.0045	0.0019	0.2941
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0007	0.0024
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0027	0.4216
Echinococcus granulosus	GPCR family 2	0.0035	0.0012	0.0319
Schistosoma mansoni	hypothetical protein	0.0035	0.0012	0.1858
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0007	0.5
Entamoeba histolytica	hypothetical protein	0.004	0.0015	0.2156
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.011	0.0061	1
Echinococcus granulosus	Niemann Pick C1 protein	0.011	0.0061	0.1674
Plasmodium falciparum	telomerase reverse transcriptase	0.4095	0.2723	1
Echinococcus granulosus	protection of telomeres protein 1	0.0567	0.0367	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0007	1
Onchocerca volvulus	Huntingtin homolog	0.0136	0.0079	0.0073
Schistosoma mansoni	hypothetical protein	0.0035	0.0012	0.1858
Echinococcus multilocularis	protein dispatched 1	0.0054	0.0024	0.0408
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0002	0.2988
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0002	0.0249
Echinococcus granulosus	tumor protein p63	0.0392	0.025	0.6812
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0007	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0001	0.1856
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0002	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0012	0.0198
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0012	0.0319
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0007	0.0835
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0015	0.0254
Onchocerca volvulus		0.0057	0.0027	0.002
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0012	0.0016
Schistosoma mansoni	hypothetical protein	0.0035	0.0012	0.1858
Echinococcus granulosus	sterol regulatory element binding protein	0.0047	0.002	0.0536
Entamoeba histolytica	hypothetical protein	0.004	0.0015	0.2156
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0007	0.0741
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0015	0.238
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0002	0.0007
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0001	0.1856
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.0039	0.0054
Brugia malayi	hypothetical protein	0.0136	0.0079	0.0109
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0047	0.002	0.2479
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0012	0.1476
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0007	0.5
Plasmodium vivax	telomerase reverse transcriptase, putative	0.4095	0.2723	1
Schistosoma mansoni	hypothetical protein	0.0112	0.0063	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0007	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0019	0.2941
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0002	0.0249
Giardia lamblia	Telomerase catalytic subunit	0.4095	0.2723	1
Schistosoma mansoni	ap endonuclease	0.0021	0.0002	0.0355
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.0062	0.7863
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.0077	0.9707
Entamoeba histolytica	hypothetical protein	0.004	0.0015	0.2156
Schistosoma mansoni	patched 1	0.0047	0.002	0.312
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0007	0.0835
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0903	0.0591	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0002	0.0249
Trypanosoma brucei	telomerase reverse transcriptase	0.4095	0.2723	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0007	1
Toxoplasma gondii	RNA-directed DNA polymerase	0.4095	0.2723	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Diuretic activity (ADMET)	= 0	Compound administered intravenously was evaluated for salidiuretic activity measured as sodium ion excretion in Dog; Value ranges from 0-99	ChEMBL.	7452697

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: 144741

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 43305