TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 227.73 | Formula: C12H18ClNO
H donors: 1 H acceptors: 1 LogP: 3.05 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccccc1CN1CCCCC1.Cl
InChi: 1S/C12H17NO.ClH/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13;/h2-3,6-7,14H,1,4-5,8-10H2;1H
InChiKey: LQXGZRGTMMFDFO-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 multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0059	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0021	0.019	0.5
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0041	0.5411	0.5411
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0041	0.5411	0.5411
Entamoeba histolytica	P-glycoprotein 6, putative	0.0021	0.019	0.019
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Giardia lamblia	Multidrug resistance-associated protein 1	0.0034	0.3466	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0059	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0059	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0021	0.019	0.5
Trypanosoma brucei	trans-sialidase, putative	0.0031	0.281	0.5018
Brugia malayi	ABC transporter transmembrane region family protein	0.0034	0.3466	0.3466
Trichomonas vaginalis	ABC transporter, putative	0.0059	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0059	1	1
Entamoeba histolytica	hypothetical protein	0.0034	0.3466	0.3466
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0041	0.5411	0.5322
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0059	1	1
Trichomonas vaginalis	abcb9, putative	0.0059	1	1
Schistosoma mansoni	multidrug resistance protein	0.0034	0.3466	0.3466
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0058	0.981	0.981
Schistosoma mansoni	smdr1	0.0021	0.019	0.019
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0059	1	1
Entamoeba histolytica	P-glycoprotein-5	0.0059	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0034	0.3466	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.281	0.5018
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0041	0.5411	0.5322
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Brugia malayi	multidrug resistance related protein 1	0.0034	0.3466	0.3466
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0034	0.3466	0.3466
Leishmania major	ABC-thiol transporter	0.0034	0.3466	0.3339
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0059	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0039	0.4733	0.4733
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.2809	0.5016
Echinococcus multilocularis	multidrug resistance protein 1	0.0039	0.4733	0.4631
Schistosoma mansoni	multidrug resistance protein	0.0059	1	1
Trypanosoma brucei	multidrug resistance protein E	0.0034	0.3466	0.6274
Schistosoma mansoni	multidrug resistance protein	0.0021	0.019	0.019
Entamoeba histolytica	P-glycoprotein-2	0.0059	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0021	0.019	0.019
Giardia lamblia	MRP-like ABC transporter	0.0034	0.3466	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0059	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0034	0.3466	0.3466
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0041	0.5411	0.5411
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0059	1	0.5
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.2809	0.5016
Echinococcus granulosus	multidrug resistance protein 1	0.0039	0.4733	0.4733
Giardia lamblia	Multidrug resistance-associated protein 1	0.0033	0.3275	0.9451
Trichomonas vaginalis	taga, putative	0.0059	1	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0059	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0034	0.3466	0.3466
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0041	0.5411	0.5411
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Loa Loa (eye worm)	ABC transporter	0.0021	0.019	0.019
Loa Loa (eye worm)	hypothetical protein	0.0059	1	1
Entamoeba histolytica	ABC transporter, putative	0.0034	0.3466	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0021	0.019	0.019
Echinococcus granulosus	multidrug resistance protein 1	0.0059	1	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0034	0.3466	0.3339
Trypanosoma brucei	trans-sialidase	0.0031	0.281	0.5018
Trypanosoma brucei	trans-sialidase, putative	0.0031	0.281	0.5018
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0034	0.3466	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0059	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.2809	0.5016
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0059	1	1
Brugia malayi	ABC transporter family protein	0.0021	0.019	0.019
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0041	0.5411	0.5322
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0041	0.5411	0.5322
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Trichomonas vaginalis	ABC transporter, putative	0.0059	1	1
Schistosoma mansoni	multidrug resistance protein	0.0059	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0034	0.3466	0.3339
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0041	0.5411	0.5411
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0021	0.019	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0059	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0058	0.981	0.9806
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0021	0.019	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Leishmania major	p-glycoprotein	0.0059	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0034	0.3466	0.6274
Loa Loa (eye worm)	hypothetical protein	0.0034	0.3466	0.3466
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0021	0.019	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Trichomonas vaginalis	abcb9, putative	0.0059	1	1
Brugia malayi	hypothetical protein	0.0021	0.019	0.019
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Echinococcus granulosus	ATP binding cassette sub family B	0.0021	0.019	0.019
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0059	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0059	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Schistosoma mansoni	multidrug resistance protein	0.0059	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0021	0.019	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0034	0.3466	0.6274
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	1	1
Trypanosoma brucei	trans-sialidase, putative	0.0031	0.281	0.5018
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0041	0.5411	0.5411
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0059	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0021	0.019	0.019
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0039	0.4733	0.4733
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0034	0.3466	0.3466
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0034	0.3466	0.3339
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0021	0.019	0.5
Echinococcus granulosus	ATP binding cassette sub family B	0.0021	0.019	0.019
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.2809	0.5016
Trypanosoma brucei	trans-sialidase, putative	0.0031	0.281	0.5018
Giardia lamblia	ABC transporter, putative	0.0034	0.3466	1
Trichomonas vaginalis	ABC transporter, putative	0.0059	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0021	0.019	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.3466	0.3466
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0034	0.3466	0.6274
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0034	0.3466	0.6274
Brugia malayi	ABC transporter family protein	0.0059	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0059	1	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0034	0.3466	0.3466
Echinococcus granulosus	multidrug resistance associated protein 7	0.0034	0.3466	0.3466
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.281	0.5018
Schistosoma mansoni	multidrug resistance protein	0.0034	0.3466	0.3466
Brugia malayi	ABC transporter family protein	0.0021	0.019	0.019
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	1	1
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0041	0.5411	0.5411
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0041	0.5411	0.5322
Plasmodium vivax	multidrug resistance protein 1, putative	0.0059	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	1	1
Trypanosoma brucei	p-glycoprotein	0.0034	0.3466	0.6274
Trichomonas vaginalis	ABC transporter, putative	0.0059	1	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0034	0.3466	0.3466
Plasmodium falciparum	multidrug resistance protein 1	0.0059	1	1
Trypanosoma brucei	trans-sialidase, putative	0.0031	0.281	0.5018
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0034	0.3466	0.3339
Entamoeba histolytica	P-glycoprotein 6, putative	0.0021	0.019	0.019
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Loa Loa (eye worm)	ABC transporter	0.0021	0.019	0.019
Schistosoma mansoni	multidrug resistance protein	0.0034	0.3466	0.3466
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0059	1	1
Leishmania major	pentamidine resistance protein 1	0.0034	0.3466	0.3339
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0059	1	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0041	0.5411	1
Onchocerca volvulus		0.0059	1	0.5
Trypanosoma cruzi	trans-sialidase, putative	0.0031	0.281	0.5018
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0021	0.019	0.019
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0041	0.5411	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0059	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Brugia malayi	P-glycoprotein-like protein	0.0021	0.019	0.019
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0021	0.019	0.019
Entamoeba histolytica	multidrug resistance protein, putative	0.0034	0.3466	0.3466
Entamoeba histolytica	P-glycoprotein-1	0.0059	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0031	0.281	0.5018
Loa Loa (eye worm)	hypothetical protein	0.0033	0.3275	0.3275
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0059	1	1
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0041	0.5411	0.5411
Trichomonas vaginalis	abcb9, putative	0.0059	1	1
Brugia malayi	ABC transporter	0.0021	0.019	0.019
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0021	0.019	0.5
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0041	0.5411	1
Leishmania major	p-glycoprotein e	0.0034	0.3466	0.3339
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0034	0.3466	0.3339
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0041	0.5411	0.5411
Schistosoma mansoni	multidrug resistance protein	0.0034	0.3466	0.3466
Brugia malayi	ABC transporter family protein	0.0021	0.019	0.019
Echinococcus multilocularis	multidrug resistance protein 1	0.0059	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0059	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0034	0.3466	0.6274
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0034	0.3466	0.3339
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0059	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0059	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0059	1	1
Loa Loa (eye worm)	ABC transporter	0.0021	0.019	0.019
Loa Loa (eye worm)	hypothetical protein	0.0058	0.981	0.981
Schistosoma mansoni	smdr2	0.0059	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antinociceptive activity in Balb/c albino Mus musculus (mouse) assessed as latency time on hot plate at 15 to 45 mg/kg up to 60 min by hot-plate method relative to control	ChEMBL.	No reference
Activity (functional)	= 67.62 %	Analgesic activity in Balb/c albino Mus musculus (mouse) assessed as protection against acetic acid-induced writhing at 15 to 45 mg/kg measured up to 20 min relative to control	ChEMBL.	No reference
Inhibition (functional)		Antipyretic activity in Balb/c albino Mus musculus (mouse) assessed as decrease in Brewer's yeast-induced rectal temperature at 50 to 150 mg/kg, ip measured up to 1.5 hr relative to control	ChEMBL.	No reference
Inhibition (functional)		Anti-inflammatory activity in Balb/c albino Mus musculus (mouse) assessed as inhibition of carrageenan-induced paw edema at 50 to 150 mg/kg at 5 hr relative to control	ChEMBL.	No reference
Inhibition (functional)		Anti-inflammatory activity in Balb/c albino Mus musculus (mouse) assessed as inhibition of carrageenan-induced paw edema at 50 to 150 mg/kg at 1 hr relative to control	ChEMBL.	No reference
T (functional)	= 37.7 degrees C	Antipyretic activity in Balb/c albino Mus musculus (mouse) assessed as Brewer's yeast-induced rectal temperature at 50 to 150 mg/kg, ip measured after 3 hr (Rvb = 38.7 degC)	ChEMBL.	No reference

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: CHEMBL2299180

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 1794186