TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.443 | Formula: C21H25N3O
H donors: 2 H acceptors: 0 LogP: 3.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)CN(c1ccc2c(c1)cc[nH]2)C1CCNCC1
InChi: 1S/C21H25N3O/c1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21/h2-7,12-14,18,22-23H,8-11,15H2,1H3
InChiKey: DVAFTUPEVMCRKD-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
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Sodium:neurotransmitter symporter family 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	sodium/chloride dependent transporter	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
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
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
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
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	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	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		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	Sodium-dependent dopamine transporter, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus granulosus	serotonin transporter	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)	hypothetical protein	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 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0391	0.0557
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0391	0.0595
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0424	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0391	0.0595
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.016	0.3463
Loa Loa (eye worm)	hypothetical protein	0.003	0.0207	0.0207
Echinococcus granulosus	dna polymerase eta	0.0014	0.0052	0.0079
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.0238	0.0782
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.1054	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.2709	1
Echinococcus multilocularis	dnaJ subfamily B	0.0399	0.373	0.5672
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0277	0.2562	0.5
Schistosoma mansoni	hypothetical protein	0.0399	0.373	0.5655
Schistosoma mansoni	cpg binding protein	0.003	0.02	0.0265
Toxoplasma gondii	hypothetical protein	0.0051	0.0403	0.9476
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0114	0.0354
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0391	0.0595
Schistosoma mansoni	hypothetical protein	0.0177	0.1608	0.2415
Echinococcus granulosus	dnaJ subfamily B	0.0399	0.373	0.5672
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.016	0.0514
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0064	0.0098
Echinococcus multilocularis	geminin	0.0177	0.1608	0.2445
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0391	0.0595
Plasmodium vivax	amine transporter, putative	0.005	0.0391	0.0961
Echinococcus multilocularis	dna polymerase eta	0.0014	0.0052	0.0079
Onchocerca volvulus		0.005	0.0391	0.0325
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0277	0.2562	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0341	0.1003
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0064	0.0012
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.2709	0.2671
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0391	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.2709	0.2709
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0391	0.0557
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.03	0.0861
Onchocerca volvulus		0.005	0.0391	0.0325
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0114	0.0214
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0064	0.0098
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Trypanosoma brucei	unspecified product	0.0034	0.0238	0.0782
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.03	0.0861
Trichomonas vaginalis	glucosylceramidase, putative	0.0729	0.6889	0.6793
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0391	0.0557
Echinococcus granulosus	dna polymerase kappa	0.004	0.03	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0025	0.016	0.016
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0729	0.6889	0.6793
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0391	0.0595
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0064	0.0098
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.0341
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0315	0.293	1
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2709	0.2709
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0277	0.2562	1
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0114	0.0214
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0391	0.0595
Onchocerca volvulus		0.005	0.0391	0.0325
Schistosoma mansoni	hypothetical protein	0.0015	0.0064	0.0058
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.2709	0.2709
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0014	0.0052	0.0079
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0391	0.0557
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0391	0.0961
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0277	0.2562	1
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.2709	0.4097
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0391	0.0557
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0064	0.0098
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0235	0.0184
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.2709	0.4097
Echinococcus granulosus	microtubule associated protein 2	0.0696	0.6575	1
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.03	0.0992
Echinococcus granulosus	geminin	0.0177	0.1608	0.2445
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0114	0.0245
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.9179
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Echinococcus multilocularis	dna polymerase kappa	0.004	0.03	0.0456
Schistosoma mansoni	hypothetical protein	0.0015	0.0064	0.0058
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0014	0.0052	0.0079
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0391	0.0557
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0072	0.0211
Brugia malayi	hypothetical protein	0.0016	0.0074	0.0022
Mycobacterium ulcerans	hypothetical protein	0.0166	0.1504	0.5323
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0026	0.004
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0315	0.293	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0064	0.0064
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0277	0.2562	1
Toxoplasma gondii	hypothetical protein	0.005	0.0391	0.9179
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0014	0.0052	0.0052
Schistosoma mansoni	hypothetical protein	0.0015	0.0064	0.0058
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0341	0.1003
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0149	0.1343	0.4565
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0391	0.0557
Schistosoma mansoni	cpg binding protein	0.0028	0.0185	0.0242
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0072	0.0211
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.0391
Leishmania major	mitochondrial DNA polymerase beta	0.0315	0.293	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.016	0.0376
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0382	0.0331
Echinococcus multilocularis	serotonin transporter	0.0292	0.2709	0.412
Schistosoma mansoni	cpg binding protein	0.003	0.02	0.0265
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0391	0.0557
Echinococcus multilocularis	microtubule associated protein 2	0.0696	0.6575	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.03	0.0861
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.03	0.0861
Brugia malayi	hypothetical protein	0.0025	0.016	0.0109
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0341	0.1132
Trypanosoma brucei	DNA polymerase eta, putative	0.0014	0.0052	0.0143
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0185	0.0133
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0014	0.0052	0.0039
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0064	0.0064
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0054	0.0434	0.1325
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0391	0.0595
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0014	0.0052	0.0039
Echinococcus granulosus	cpg binding protein	0.003	0.02	0.0304
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0382	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0052	0.0052
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0391	0.0557
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.0391
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0064	0.0098
Schistosoma mansoni	microtubule-associated protein tau	0.0696	0.6575	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.9179
Plasmodium falciparum	transporter, putative	0.005	0.0391	0.0961
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0315	0.293	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.0341
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.03	0.0992
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.9179
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2709	0.2709
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0382	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0382	0.0382
Echinococcus granulosus	GPCR family 2	0.0015	0.0064	0.0098
Onchocerca volvulus		0.0292	0.2709	0.3977
Onchocerca volvulus	Glucosylceramidase homolog	0.0692	0.6533	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0235	0.0318
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0166	0.1504	0.5785
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0341	0.1003
Schistosoma mansoni	hypothetical protein	0.0015	0.0064	0.0058
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0391	0.0595
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0485	0.07
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0185	0.0185
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0014	0.0052	0.5
Echinococcus multilocularis	cpg binding protein	0.003	0.02	0.0304
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0391	0.0341
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0391	0.0595
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.03	0.0992
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0235	0.0235
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0114	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0064	0.0012
Echinococcus granulosus	serotonin transporter	0.0292	0.2709	0.412
Toxoplasma gondii	hypothetical protein	0.005	0.0391	0.9179
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0391	0.0557
Leishmania major	hypothetical protein, conserved	0.0025	0.016	0.0376
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0391	0.0557
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0072	0.0211
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0207	0.0674
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0026	0.004
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0391	0.0595
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.2709	0.2709
Schistosoma mansoni	hypothetical protein	0.0177	0.1608	0.2415
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0391	0.0595
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0149	0.1343	0.4486
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2709	0.2709
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.016	0.0376
Brugia malayi	hypothetical protein	0.005	0.0391	0.0341
Brugia malayi	polk-prov protein	0.003	0.0207	0.0156
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0207	0.0674
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0149	0.1343	0.4486
Schistosoma mansoni	DNA polymerase eta	0.0014	0.0052	0.0039
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0391	0.0341
Trichomonas vaginalis	glucosylceramidase, putative	0.0692	0.6533	0.6426
Trichomonas vaginalis	glucosylceramidase, putative	0.1054	1	1
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0391	0.0961

Activities

Activity type	Activity value	Assay description	Source	Reference
IC20 (binding)	= 1 uM	Inhibition of human ERG expressed in CHO cells	ChEMBL.	19592243
Ki (binding)	= 7.1	Inhibition of DAT	ChEMBL.	19592243
Ki (binding)	= 8.4	Inhibition of NET	ChEMBL.	19592243
Ki (binding)	= 8.8	Inhibition of SERT	ChEMBL.	19592243

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: CHEMBL550870

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1044239