TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 237.404 | Formula: C14H23NS
H donors: 1 H acceptors: 0 LogP: 4.12 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(Cc1ccc(cc1)SC)CC
InChi: 1S/C14H23NS/c1-4-10-15-13(5-2)11-12-6-8-14(16-3)9-7-12/h6-9,13,15H,4-5,10-11H2,1-3H3
InChiKey: BVNCGPDTVNALJQ-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	Serotonin transporter	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
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 mansoni	norepinephrine/norepinephrine transporter	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 mansoni	sodium/chloride dependent 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 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
Loa Loa (eye worm)	hypothetical protein	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)	hypothetical protein	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)	norepinephrine transporter	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 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
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Echinococcus multilocularis	serotonin 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0252	0.0882
Trypanosoma cruzi	target of rapamycin kinase 3	0.0021	0.0125	0.0405
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0021	0.0125	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Schistosoma mansoni	kinase	0.0051	0.1089	0.1074
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3844	0.3834
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0153	0.0508
Leishmania major	GTP-binding protein, putative	0.0022	0.0153	0.0508
Loa Loa (eye worm)	RNA binding protein	0.0135	0.3844	0.3794
Trypanosoma cruzi	polo-like protein kinase, putative	0.01	0.2685	1
Trypanosoma brucei	unspecified product	0.002	0.0082	0.0242
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0912	0.0838
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1239	0.4447
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1807	0.174
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.01	0.2685	1
Schistosoma mansoni	bromodomain containing protein	0.0075	0.1879	0.1865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0317	0.1122
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.1239	0.4581
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.1239	0.4581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0387	0.1174
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0227	0.0558
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0818	0.0742
Brugia malayi	hypothetical protein	0.0027	0.0317	0.0823
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	importin subunit beta 1	0.003	0.0414	0.0335
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1239	0.4447
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0082	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0135	0.3844	1
Schistosoma mansoni	serine/threonine protein kinase	0.01	0.2685	0.2673
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1807	0.174
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0021	0.0125	0.0405
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0227	0.0786
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0021	0.0125	0.0108
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.1239	0.1167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus multilocularis	snurportin 1	0.0324	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0073	0.1807	0.1793
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0071	0.174	0.1672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	tar DNA binding protein	0.0135	0.3844	0.3794
Entamoeba histolytica	hypothetical protein	0.0025	0.0227	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3633	0.3581
Entamoeba histolytica	hypothetical protein	0.003	0.0387	0.1174
Plasmodium falciparum	importin beta, putative	0.003	0.0414	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trichomonas vaginalis	ran, putative	0.0022	0.0153	0.0273
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0082	0.0242
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0082	0.0065
Brugia malayi	hypothetical protein	0.0129	0.3633	0.9449
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0021	0.0125	0.0108
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0073	0.1807	0.4701
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0227	0.0558
Leishmania major	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0317	0.0237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.003	0.0387	0.1388
Schistosoma mansoni	zinc finger protein	0.0023	0.0183	0.0166
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0085	0.0068
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0818	0.0742
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0082	0.0212
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0071	0.174	0.1672
Trypanosoma brucei	protein kinase, putative	0.0056	0.1239	0.4581
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0317	0.1718
Toxoplasma gondii	FATC domain-containing protein	0.003	0.0387	0.2352
Entamoeba histolytica	serine/threonine protein kinase, putative	0.01	0.2685	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.002	0.0085	0.0004
Brugia malayi	PHD-finger family protein	0.003	0.039	0.1014
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0153	0.0246
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.01	0.2685	0.2625
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0021	0.0125	0.0044
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.2797	0.2738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Loa Loa (eye worm)	phosphatidylinositol 3	0.0021	0.0125	0.0044
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0021	0.0125	0.0326
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0082	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.1239	0.4581
Echinococcus granulosus	methyl CpG binding domain protein 2	0.002	0.0085	0.0004
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0021	0.0125	0.0326
Brugia malayi	Bromodomain containing protein	0.0089	0.2334	0.607
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0022	0.0127	0.041
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0082	0.0242
Schistosoma mansoni	importin beta-1	0.003	0.0414	0.0398
Onchocerca volvulus	Huntingtin homolog	0.0129	0.3633	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0153	0.0508
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0073	0.1807	0.174
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0414	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2168	0.2103
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3844	0.3834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.01	0.2685	0.2625
Echinococcus granulosus	zinc finger protein	0.0023	0.0183	0.0102
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0317	0.1122
Treponema pallidum	sodium- and chloride- dependent transporter	0.0073	0.1807	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus multilocularis	tar DNA binding protein	0.0135	0.3844	0.3794
Schistosoma mansoni	hypothetical protein	0.0178	0.5246	0.5238
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Schistosoma mansoni	ran	0.0022	0.0153	0.0136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3844	0.3834
Giardia lamblia	GTOR	0.0021	0.0125	0.0168
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.01	0.2685	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0298	0.0218
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2797	0.2785
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus multilocularis	geminin	0.0178	0.5246	0.5207
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0082	0.0212
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1239	0.4447
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1046	0.3706
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0082	0.0065
Onchocerca volvulus	Serine\/threonine kinase homolog	0.01	0.2685	0.4809
Echinococcus granulosus	serotonin transporter	0.0073	0.1807	0.174
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.1239	0.4581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0085	0.0068
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0153	0.0072
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0414	0.1488
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.1239	0.4581
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.1046	0.3706
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0227	0.0558
Schistosoma mansoni	DNA polymerase eta	0.002	0.0082	0.0065
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0073	0.1807	0.1793
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0021	0.0125	0.0405
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0153	0.0072
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0082	0.5
Schistosoma mansoni	hypothetical protein	0.0025	0.0224	0.0207
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.1239	0.1225
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0021	0.0125	0.0405
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.1239	0.4581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0021	0.0125	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3844	0.3834
Brugia malayi	Bromodomain containing protein	0.0046	0.091	0.2366
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0021	0.0125	0.0405
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0224	0.0144
Echinococcus multilocularis	zinc finger protein	0.0023	0.0183	0.0102
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Giardia lamblia	Kinase, PLK	0.01	0.2685	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0153	0.0072
Entamoeba histolytica	Ran family GTPase	0.0022	0.0153	0.0273
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0021	0.0125	0.0168
Onchocerca volvulus	Huntingtin homolog	0.0129	0.3633	1
Echinococcus granulosus	geminin	0.0178	0.5246	0.5207
Brugia malayi	RNA, U transporter 1	0.0086	0.2241	0.5829
Loa Loa (eye worm)	phosphatidylinositol 3	0.0021	0.0125	0.0044
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.1239	0.4447
Schistosoma mansoni	tar DNA-binding protein	0.0135	0.3844	0.3834
Loa Loa (eye worm)	serotonin transporter b	0.0073	0.1807	0.174
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.0127	0.041
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.1239	0.4581
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0082	0.0242
Brugia malayi	serine/threonine-protein kinase plk-2	0.01	0.2685	0.6985
Brugia malayi	Importin beta-1 subunit	0.003	0.0414	0.1077
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0021	0.0125	0.0168
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.01	0.2685	0.2625
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.2797	0.2738
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0021	0.0125	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1807	0.174
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1239	0.4447
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0317	0.6269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	serine protein kinase ATM	0.003	0.0387	0.0308
Leishmania major	DNA polymerase eta, putative	0.002	0.0082	0.0242
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.2797	0.2738
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0021	0.0125	0.0405
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.003	0.0387	0.1388
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0021	0.0125	0.0405
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0021	0.0125	0.0405
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2797	0.2785
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0082	0.5
Brugia malayi	RNA binding protein	0.0135	0.3844	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0082	0.0242
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.002	0.0085	0.0004
Schistosoma mansoni	hypothetical protein	0.0324	1	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0085	0.0068
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0414	0.2593
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0252	0.0172
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0082	0.0242
Loa Loa (eye worm)	hypothetical protein	0.003	0.0414	0.0335
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0021	0.0125	0.0405
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0298	0.0282
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0082	0.0242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Brugia malayi	TAR-binding protein	0.0135	0.3844	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0021	0.0125	0.0044
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.003	0.0387	0.1007
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.003	0.0387	0.0371
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0317	0.6269
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.2797	0.2738
Schistosoma mansoni	ran	0.0022	0.0153	0.0136
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0153	0.0508
Loa Loa (eye worm)	hypothetical protein	0.002	0.0085	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1004	0.093
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.1239	0.1167
Plasmodium vivax	importin-beta 2, putative	0.003	0.0414	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.002	0.0085	0.0068
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.1239	0.1167
Schistosoma mansoni	hypothetical protein	0.0178	0.5246	0.5238
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0227	0.0786
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Trypanosoma brucei	polo-like protein kinase	0.01	0.2685	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Loa Loa (eye worm)	TAR-binding protein	0.0135	0.3844	0.3794
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0109	0.0028
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0153	0.0397
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.1239	0.1167
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.2797	0.7275
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0135	0.3844	0.3794
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3633	0.3581
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0153	0.0273
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0082	0.0242
Loa Loa (eye worm)	norepinephrine transporter	0.0073	0.1807	0.174
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0021	0.0125	0.0405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0324	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0317	0.1122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1078	0.1005
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0021	0.0125	0.0405
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0021	0.0125	0.0044
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0021	0.0125	0.0405
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0021	0.0125	0.0405
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.2797	0.2785
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0317	0.6269
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0414	0.1488
Leishmania major	hypothetical protein, conserved	0.0027	0.0317	0.1122
Brugia malayi	MAP kinase sur-1	0.0056	0.1239	0.3224
Echinococcus multilocularis	serotonin transporter	0.0073	0.1807	0.174
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.1239	0.1167
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.1239	1
Trichomonas vaginalis	CAMK family protein kinase	0.01	0.2685	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.2797	0.2738
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0298	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0125	0.0168
Echinococcus multilocularis	serine protein kinase ATM	0.003	0.0387	0.0308
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.002	0.0085	0.0004

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 2.52	Cytotoxicity against human SH-SY5Y cells after 48 hrs by neutral red assay	ChEMBL.	19717215
EC50 (ADMET)	= 3.519	Cytotoxicity against human HEK293 cells after 48 hrs by neutral red assay	ChEMBL.	19717215
EC50 (binding)	= 3.57	Induction of human SERT-dependent cytotoxicity in SERT expressing HEK293 cells after 48 hrs by neutral red assay	ChEMBL.	19717215
EC50 (binding)	= 3.59	Induction of human SERT-dependent cytotoxicity in SERT expressing human DG75 cells after 48 hrs by neutral red assay	ChEMBL.	19717215
IC50 (binding)	= 0.621 uM	Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation counting	ChEMBL.	19717215

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: CHEMBL1077898

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1100342