TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 285.209 | Formula: C15H18Cl2O
H donors: 0 H acceptors: 0 LogP: 5.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC[C@]1(c2ccc(c(c2)Cl)Cl)[C@@H]2[C@H]1CCC2
InChi: 1S/C15H18Cl2O/c1-2-18-9-15(11-4-3-5-12(11)15)10-6-7-13(16)14(17)8-10/h6-8,11-12H,2-5,9H2,1H3/t11-,12+,15-
InChiKey: PQMJWYCYCSXLGZ-JJLQDPRZSA-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
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.3212	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0055	0.0054
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.0818	0.0816
Brugia malayi	hypothetical protein	0.005	0.0055	0.0055
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0055	0.0055
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0098	0.0097
Trichomonas vaginalis	CMGC family protein kinase	0.3212	1	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0159	0.04	0.04
Trypanosoma brucei	PAB1-binding protein , putative	0.0076	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0818	0.0818
Echinococcus granulosus	serotonin transporter	0.0292	0.0818	0.0811
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.036	0.0353
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0055	0.0054
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0146	0.036	0.036
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.3212	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0058	0.0058
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.036	0.0358
Leishmania major	hypothetical protein, conserved	0.0076	0.014	0.014
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0098	0.0097
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0058	0.0051
Echinococcus multilocularis	mitogen activated protein kinase	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0818	0.0818
Schistosoma mansoni	serine/threonine protein kinase	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0242	0.0242
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0055	0.0048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.036	0.0358
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.3212	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.014	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0234	0.0635	0.0635
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0058	0.0058
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0098	0.0091
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0159	0.04	0.04
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0055	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0076	0.014	0.014
Brugia malayi	latrophilin 2 splice variant baaae	0.0109	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Brugia malayi	TAR-binding protein	0.0063	0.0098	0.0098
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0055	0.0055
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0055	0.0055
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0055	0.0055
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0055	0.0048
Plasmodium vivax	ataxin-2 like protein, putative	0.0076	0.014	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0055	0.0048
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.036	0.0353
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Echinococcus multilocularis	serotonin transporter	0.0292	0.0818	0.0811
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Trichomonas vaginalis	CMGC family protein kinase	0.3212	1	0.5
Brugia malayi	hypothetical protein	0.0156	0.0392	0.0392
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.014	0.014
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0055	0.0048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.036	0.0353
Brugia malayi	Cytochrome P450 family protein	0.0067	0.0112	0.0112
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0055	0.0055
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0058	0.0058
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0098	0.0098
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0055	0.0055
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.3212	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.036	0.0358
Giardia lamblia	Kinase, CMGC MAPK	0.3212	1	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.3212	1	1
Onchocerca volvulus		0.0156	0.0392	0.441
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0098	0.0097
Schistosoma mansoni	hypothetical protein	0.005	0.0058	0.0056
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.3212	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0067	0.0112	0.0112
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0055	0.0048
Loa Loa (eye worm)	hypothetical protein	0.005	0.0058	0.0058
Schistosoma mansoni	sodium/chloride dependent transporter	0.0079	0.0147	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0098	0.0097
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0055	0.0048
Echinococcus granulosus	mitogen activated protein kinase	0.3212	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.3212	1	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0234	0.0635	0.0635
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.0818	0.0818
Echinococcus multilocularis	mitogen activated protein kinase 3	0.3212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0055	0.0054
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0055	0.0054
Onchocerca volvulus		0.0292	0.0818	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.014	0.014
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0098	0.0091
Echinococcus multilocularis	GPCR, family 2	0.005	0.0058	0.0051
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0055	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.014	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0055	0.0048
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0055	0.0048
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0058	0.0051
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.0818	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0292	0.0818	0.0818
Echinococcus granulosus	mitogen activated protein kinase 3	0.3212	1	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0055	0.0048
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0098	0.0098
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.0818	0.5
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.0818	0.0818
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0146	0.036	0.036
Schistosoma mansoni	hypothetical protein	0.0109	0.0242	0.024
Trichomonas vaginalis	CMGC family protein kinase	0.3212	1	0.5
Brugia malayi	RNA binding protein	0.0063	0.0098	0.0098
Schistosoma mansoni	hypothetical protein	0.005	0.0058	0.0056
Trypanosoma brucei	protein kinase, putative	0.3212	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0055	0.0054
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0058	0.0051
Brugia malayi	hypothetical protein	0.0049	0.0055	0.0055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.036	0.0353
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0055	0.0048
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0159	0.04	0.04
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.3212	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.3212	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0055	0.0054
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0058	0.0051
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.3212	1	1
Schistosoma mansoni	hypothetical protein	0.005	0.0058	0.0056
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.0818	0.0818
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0159	0.04	0.04
Echinococcus granulosus	GPCR family 2	0.005	0.0058	0.0051
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0055	0.0054
Schistosoma mansoni	hypothetical protein	0.005	0.0058	0.0056
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0055	0.0054
Brugia malayi	hypothetical protein	0.0076	0.014	0.014
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0098	0.0097
Toxoplasma gondii	LsmAD domain-containing protein	0.0076	0.014	0.0085
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0007	0.0005
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.0818	0.0816
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0055	0.0048
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.005	0.0055	0.0055
Brugia malayi	MH2 domain containing protein	0.0234	0.0635	0.0635
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0055	0.0054

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 4.6	Displacement of [3H]nisoxetine from human recombinant NET expressed in BacMam virus-transduced cells by scintillation proximity assay	ChEMBL.	20170186
Ki (binding)	= 5.2	Displacement of [3H]WIN-35428 from human recombinant DAT expressed in BacMam virus-transduced cells by scintillation proximity assay	ChEMBL.	20170186
Ki (binding)	= 5.6	Displacement of [3H]citalopram from human recombinant SERT expressed in BacMam virus-transduced cells by scintillation proximity assay	ChEMBL.	20170186

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: CHEMBL2021583

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 1640783