TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 330.852 | Formula: C19H23ClN2O
H donors: 1 H acceptors: 0 LogP: 3.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)COCC(c1ccccc1)N1CCNCC1
InChi: 1S/C19H23ClN2O/c20-18-8-4-5-16(13-18)14-23-15-19(17-6-2-1-3-7-17)22-11-9-21-10-12-22/h1-8,13,19,21H,9-12,14-15H2
InChiKey: OZEMABLVUYGXRL-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	tachykinin receptor 1	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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	ko:K04224 tachykinin receptor 3, putative	Get druggable targets OG5_137770	All targets in OG5_137770
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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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 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 dopamine transporter, putative	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
Onchocerca volvulus		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
Loa Loa (eye worm)	hypothetical protein	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
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
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
Loa Loa (eye worm)	serotonin transporter b	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	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
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
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
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 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0058	0.1658	0.2139
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.0239
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0015	0.0169	0.024
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0142	0.4599	0.6122
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0012	0.006	0.006
Plasmodium vivax	SET domain protein, putative	0.0029	0.0654	0.1309
Loa Loa (eye worm)	bromodomain containing protein	0.0016	0.0186	0.017
Leishmania major	eukaryotic initiation factor 4a, putative	0.0024	0.0483	0.083
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0017	0.0222	0.0073
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0142	0.4599	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0058	0.1658	0.2155
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.153	0.2021
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0142	0.4599	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.006	0.0048
Trichomonas vaginalis	glutathione reductase, putative	0.0015	0.0169	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.0239
Echinococcus granulosus	sodium and chloride dependent glycine	0.0012	0.006	0.006
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0142	0.4599	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0222	0.0357
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0045	0.1196	0.1196
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0054	0.153	0.1863
Toxoplasma gondii	thioredoxin reductase	0.0045	0.1195	0.2501
Brugia malayi	hypothetical protein	0.0024	0.0462	0.0587
Loa Loa (eye worm)	glutathione reductase	0.0045	0.1195	0.1531
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.006	0.006
Echinococcus granulosus	histone lysine methyltransferase setb	0.0045	0.1196	0.1196
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.044	0.044
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.0239
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0462	0.0782
Loa Loa (eye worm)	PHD-finger family protein	0.0019	0.028	0.0297
Brugia malayi	Pre-SET motif family protein	0.0198	0.6574	0.8792
Leishmania major	trypanothione reductase	0.0045	0.1195	0.2416
Brugia malayi	hypothetical protein	0.0012	0.006	0.0048
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0445	0.0745
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0237	0.0391
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0012	0.006	0.006
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0054	0.153	0.153
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0017	0.0222	0.0222
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0045	0.1195	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1079	0.1374
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0045	0.1195	0.2316
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0102	0.3206	0.6857
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0058	0.1658	0.352
Brugia malayi	Bromodomain containing protein	0.0035	0.0841	0.1096
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0445	0.0509
Brugia malayi	Proteasome A-type and B-type family protein	0.0142	0.4599	0.614
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0169	0.013
Loa Loa (eye worm)	histone methyltransferase	0.0016	0.0202	0.0191
Loa Loa (eye worm)	glutaminase 2	0.0223	0.7474	1
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0024	0.0483	0.083
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0054	0.153	0.153
Schistosoma mansoni	hypothetical protein	0.0014	0.011	0.011
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0057	0.162	0.162
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0073	0.2189	0.2872
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0142	0.4599	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.0239
Loa Loa (eye worm)	glutaminase	0.0223	0.7474	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0015	0.0169	0.024
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0102	0.3206	0.6649
Schistosoma mansoni	ap endonuclease	0.0017	0.0222	0.0222
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0462	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1871	0.2442
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.044	0.044
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0445	0.0623
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0462	0.0885
Toxoplasma gondii	exonuclease III APE	0.0017	0.0222	0.0357
Schistosoma mansoni	hypothetical protein	0.0058	0.1658	0.1658
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0445	0.0509
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0017	0.0222	0.012
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1641	0.2015
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0142	0.4599	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0013	0.0095	0.0095
Schistosoma mansoni	hypothetical protein	0.0019	0.028	0.028
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0016	0.0202	0.0202
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0017	0.0222	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0222	0.0357
Echinococcus multilocularis	zinc finger protein	0.0021	0.0346	0.0346
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0169	0.013
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0237	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0445	0.0378
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0027	0.0579	0.0579
Mycobacterium ulcerans	glutaminase	0.0223	0.7474	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0017	0.0222	0.0219
Loa Loa (eye worm)	norepinephrine transporter	0.0073	0.2189	0.2872
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0024	0.0483	0.0567
Toxoplasma gondii	kringle domain-containing protein	0.0058	0.1658	0.352
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0445	0.0745
Schistosoma mansoni	sodium/chloride dependent transporter	0.0073	0.2189	0.2189
Brugia malayi	Thioredoxin reductase	0.0045	0.1195	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1658	0.2155
Trypanosoma cruzi	trypanothione reductase, putative	0.0045	0.1195	0.2416
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0015	0.0166	0.0166
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0015	0.0169	0.013
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0142	0.4599	1
Schistosoma mansoni	cpg binding protein	0.0054	0.1533	0.1533
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0015	0.0169	0.024
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2189	0.2872
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0142	0.4599	0.4599
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.006	0.006
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0445	0.0564
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0142	0.4599	0.4599
Echinococcus granulosus	cpg binding protein	0.0054	0.1533	0.1533
Plasmodium falciparum	thioredoxin reductase	0.0015	0.0169	0.024
Plasmodium vivax	RNA helicase-1, putative	0.0024	0.0483	0.0933
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0013	0.0095	0.0095
Brugia malayi	exodeoxyribonuclease III family protein	0.0017	0.0222	0.0265
Schistosoma mansoni	aldehyde dehydrogenase	0.0057	0.1641	0.1641
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0445	0.0378
Schistosoma mansoni	bromodomain containing protein	0.006	0.1734	0.1734
Treponema pallidum	sodium- and chloride- dependent transporter	0.0073	0.2189	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0045	0.1195	0.1195
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0256	0.031
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0024	0.0483	0.083
Leishmania major	proteasome beta 5 subunit, putative	0.0142	0.4599	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0017	0.0222	0.012
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.006	0.006
Brugia malayi	glutaminase DH11.1	0.0223	0.7474	1
Echinococcus granulosus	proteasome prosome macropain	0.0142	0.4599	0.4599
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0102	0.3206	0.6857
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0012	0.006	0.006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0204	0.0079
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0012	0.006	0.006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0204	0.0079
Mycobacterium ulcerans	proteasome PrcB	0.0142	0.4599	0.6064
Toxoplasma gondii	proteasome subunit beta type, putative	0.0142	0.4599	1
Onchocerca volvulus		0.0073	0.2189	0.285
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1641	0.2015
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0198	0.6574	0.8787
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0024	0.0483	0.071
Schistosoma mansoni	aldehyde dehydrogenase	0.0057	0.1641	0.1641
Onchocerca volvulus		0.0225	0.7529	1
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0024	0.0483	0.071
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0222	0.0248
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0113	0.3606	0.7611
Schistosoma mansoni	zinc finger protein	0.0014	0.011	0.011
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0015	0.0169	0.013
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0017	0.0222	0.0222
Loa Loa (eye worm)	thioredoxin reductase	0.0045	0.1195	0.1531
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0462	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0462	0.0542
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0013	0.0095	0.0095
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.006	0.006
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Leishmania major	hypothetical protein, conserved	0.0058	0.1658	0.3447
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0057	0.1641	0.3324
Schistosoma mansoni	hypothetical protein	0.0295	1	1
Echinococcus multilocularis	cpg binding protein	0.0054	0.1533	0.1533
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0054	0.153	0.3072
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0024	0.0483	0.0483
Trichomonas vaginalis	glutaminase, putative	0.0223	0.7474	0.9926
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Brugia malayi	Kringle domain containing protein	0.0058	0.1658	0.2193
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0024	0.0483	0.0483
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.1196	0.1196
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0015	0.0166	0.0166
Schistosoma mansoni	cpg binding protein	0.0054	0.1533	0.1533
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0142	0.4599	0.6097
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0032	0.0766	0.0766
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0445	0.0623
Plasmodium vivax	thioredoxin reductase, putative	0.0045	0.1195	0.2501
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0113	0.3606	0.776
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0015	0.0169	0.0169
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	0.0169	0.013
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0142	0.4599	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0016	0.0202	0.0202
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0017	0.0222	0.0248
Mycobacterium tuberculosis	Probable reductase	0.0102	0.3206	0.6857
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0057	0.162	0.162
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2189	0.2872
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0012	0.006	0.006
Echinococcus multilocularis	serotonin transporter	0.0073	0.2189	0.2189
Trichomonas vaginalis	mercuric reductase, putative	0.0015	0.0169	0.0197
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0654	0.1309
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0054	0.153	0.3162
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0051	0.1401	0.1809
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	0.0483	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0843	0.1057
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0054	0.153	0.153
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0445	0.0745
Echinococcus granulosus	zinc finger protein	0.0021	0.0346	0.0346
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0057	0.1641	0.341
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0012	0.006	0.006
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	0.0169	0.013
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.006	0.0048
Brugia malayi	PHD-finger family protein	0.0025	0.0515	0.0659
Treponema pallidum	ATP-dependent RNA helicase	0.0024	0.0483	0.1557
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0015	0.0169	0.0169
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0012	0.006	0.006
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0015	0.0169	0.0169
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0054	0.153	0.1863
Brugia malayi	Bromodomain containing protein	0.0071	0.2106	0.2795
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0222	0.0268
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0012	0.006	0.006
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0113	0.3606	0.776
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0057	0.1641	0.1641
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	0.0483	0.0616
Plasmodium falciparum	glutathione reductase	0.0045	0.1195	0.2501
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0445	0.0564
Brugia malayi	eukaryotic initiation factor 4A	0.0024	0.0483	0.0616
Onchocerca volvulus		0.005	0.1372	0.1757
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.044	0.044
Echinococcus granulosus	serotonin transporter	0.0073	0.2189	0.2189
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0483	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0445	0.0519
Toxoplasma gondii	aldehyde dehydrogenase	0.0057	0.1641	0.3484
Mycobacterium tuberculosis	Probable dehydrogenase	0.0102	0.3206	0.6857
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0445	0.0564
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0204	0.0079
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1196	0.1532
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0445	0.0378
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0017	0.0222	0.0248
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0445	0.0378
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0024	0.0483	0.0483
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0015	0.0169	0.024
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0015	0.0166	0.0166
Onchocerca volvulus		0.0029	0.0654	0.0796
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0445	0.0378
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0654	0.0654
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0142	0.4599	1
Trypanosoma brucei	trypanothione reductase	0.0045	0.1195	0.2416
Echinococcus granulosus	tissue type plasminogen activator	0.0058	0.1658	0.1658
Plasmodium falciparum	proteasome subunit beta type-5	0.0142	0.4599	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0013	0.0095	0.0095
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0024	0.0483	0.0933
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0015	0.0169	0.024
Echinococcus multilocularis	tissue type plasminogen activator	0.0058	0.1658	0.1658
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0237	0.0094
Loa Loa (eye worm)	serotonin transporter b	0.0073	0.2189	0.2872
Brugia malayi	glutathione reductase	0.0045	0.1195	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.0239
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0012	0.006	0.006
Brugia malayi	Pre-SET motif family protein	0.0029	0.0654	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2189	0.2872
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0024	0.0483	0.0933
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0032	0.0766	0.0766
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.006	0.006
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0445	0.0509
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0015	0.0169	0.013
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0024	0.0483	0.0597
Schistosoma mansoni	cpg binding protein	0.005	0.1372	0.1372
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0013	0.0095	0.0095
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0237	0.0155
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0073	0.2189	0.2189
Mycobacterium tuberculosis	Probable oxidoreductase	0.0113	0.3606	0.776
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0015	0.0166	0.0166
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0012	0.006	0.0048
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0445	0.0378
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0057	0.1641	0.1641
Brugia malayi	hypothetical protein	0.0015	0.0165	0.0189
Plasmodium falciparum	cysteine repeat modular protein 1	0.0058	0.1658	0.352
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0012	0.006	0.006
Echinococcus multilocularis	geminin	0.0295	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Schistosoma mansoni	sodium/chloride dependent transporter	0.0012	0.006	0.006
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0057	0.1641	0.2015
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0918	0.1158
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	0.0483	0.0483
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0654	0.0654
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.006	0.006
Plasmodium falciparum	thioredoxin reductase	0.0045	0.1195	0.2501
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	0.0483	0.0483
Trypanosoma cruzi	trypanothione reductase, putative	0.0015	0.0169	0.013
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0015	0.0169	0.6132
Schistosoma mansoni	glutaminase	0.0223	0.7474	0.7474
Plasmodium vivax	glutathione reductase, putative	0.0045	0.1195	0.2501
Onchocerca volvulus		0.0023	0.0445	0.0515
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0012	0.006	0.006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0204	0.0079
Toxoplasma gondii	NADPH-glutathione reductase	0.0015	0.0169	0.024
Schistosoma mansoni	sodium/chloride dependent transporter	0.0012	0.006	0.006
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0462	0.0782
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0222	0.0248
Plasmodium falciparum	glutathione reductase	0.0015	0.0169	0.024
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0169	0.013
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0107	0.3368	0.3368
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0097	0.3048	0.6583
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0015	0.0169	0.013
Brugia malayi	CXXC zinc finger family protein	0.005	0.1372	0.181
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0462	0.0885
Schistosoma mansoni	zinc finger protein	0.0021	0.0346	0.0346
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0237	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0445	0.0519
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0024	0.0483	0.083
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0462	0.0782
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.006	0.0048
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0012	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0445	0.0519
Loa Loa (eye worm)	CXXC zinc finger family protein	0.005	0.1372	0.177
Leishmania major	hypothetical protein, conserved	0.0024	0.0462	0.0782
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	0.0483	0.0616
Echinococcus granulosus	sodium and chloride dependent glycine	0.0012	0.006	0.006
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0445	0.0378
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0102	0.3206	0.6857
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0102	0.3206	0.6857
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0445	0.0378
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0654	0.0654
Schistosoma mansoni	ap endonuclease	0.0017	0.0222	0.0222
Trypanosoma cruzi	hypothetical protein, conserved	0.0058	0.1658	0.3447
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0024	0.0483	0.0483
Schistosoma mansoni	hypothetical protein	0.0295	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.1196	0.1196
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0222	0.0268
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0073	0.2189	0.2906
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0015	0.0169	0.0194
Trichomonas vaginalis	set domain proteins, putative	0.0225	0.7529	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0017	0.0222	0.0263
Leishmania major	eukaryotic initiation factor 4a, putative	0.0024	0.0483	0.083
Brugia malayi	Protein kinase domain containing protein	0.0058	0.1658	0.2193

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -8.1	Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]-paroxetine binding assay.	ChEMBL.	12372532
IC50 (binding)	= -6.4	Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand	ChEMBL.	12372532
Ki (binding)	= -6.4	Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells	ChEMBL.	12565946
Log IC50 (binding)	= 6.4	Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand	ChEMBL.	12372532
Log IC50 (binding)	= 8.1	Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]-paroxetine binding assay.	ChEMBL.	12372532
Log Ki (binding)	= 6.4	Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells	ChEMBL.	12565946

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: CHEMBL111244

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 181052