TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.557 | Formula: C24H29NO3S
H donors: 0 H acceptors: 1 LogP: 5.18 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=c1cc(oc2c1cc(OCCCCCCN1CCCCC1)cc2)c1cccs1
InChi: 1S/C24H29NO3S/c26-21-18-23(24-9-8-16-29-24)28-22-11-10-19(17-20(21)22)27-15-7-2-1-4-12-25-13-5-3-6-14-25/h8-11,16-18H,1-7,12-15H2
InChiKey: ASAIZTYPKBAHRO-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	sigma non-opioid intracellular receptor 1	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D2 receptor	444 aa	432 aa	30.8 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Echinococcus multilocularis	g protein coupled receptor	Dopamine D2 receptor	444 aa	465 aa	21.5 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Schistosoma mansoni	amine GPCR	Dopamine D2 receptor	444 aa	424 aa	32.1 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Dopamine D2 receptor	444 aa	476 aa	24.2 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Onchocerca volvulus		Dopamine D2 receptor	444 aa	418 aa	23.0 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Echinococcus granulosus	g protein coupled receptor	Dopamine D2 receptor	444 aa	457 aa	21.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D2 receptor	444 aa	440 aa	30.0 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Dopamine D2 receptor	444 aa	386 aa	19.7 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D2 receptor	444 aa	433 aa	21.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0022	0.0023	0.0023
Brugia malayi	Calcium binding EGF domain containing protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0418	0.1284	0.1284
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0262	0.0262
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0112	0.0309	0.0553
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0004	0.0008
Brugia malayi	Cadherin domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Echinococcus granulosus	protein jagged 2	0.0584	0.1814	0.3242
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Onchocerca volvulus		0.0651	0.2025	0.2025
Onchocerca volvulus		0.3155	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.3155	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0023	0.0042
Treponema pallidum	catabolite gene activator	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0064	0.0064
Echinococcus multilocularis	transmembrane protease serine 3	0.0651	0.2025	0.3619
Mycobacterium ulcerans	thymidylate synthase	0.0872	0.2729	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0004	0.0008
Loa Loa (eye worm)	PAN domain-containing protein	0.0553	0.1713	0.1713
Mycobacterium ulcerans	hypothetical protein	0.0024	0.003	0.011
Leishmania major	hypothetical protein, conserved	0.1746	0.5514	1
Toxoplasma gondii	microneme protein MIC4	0.0553	0.1713	0.2381
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0022	0.0023	0.0023
Brugia malayi	Cadherin domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	notch protein	0.0584	0.1814	0.1814
Onchocerca volvulus	Slit protein homolog	0.0584	0.1814	0.1814
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.1746	0.5514	1
Toxoplasma gondii	microneme protein MIC17C	0.0553	0.1713	0.2381
Brugia malayi	thymidylate synthase	0.0872	0.2729	0.2729
Schistosoma mansoni	voltage-gated potassium channel	0.0122	0.0342	0.0342
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0651	0.2025	0.2025
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.1124	0.3533	0.3533
Loa Loa (eye worm)	hypothetical protein	0.0651	0.2025	0.2025
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Brugia malayi	Fibulin-1 precursor	0.1124	0.3533	0.3533
Echinococcus multilocularis	neurogenic locus notch protein	0.0584	0.1814	0.3242
Schistosoma mansoni	egf-like domain protein	0.1124	0.3533	0.3533
Mycobacterium tuberculosis	Hypothetical protein	0.0415	0.1273	0.4667
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.1124	0.3533	0.3533
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0584	0.1814	0.1814
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0651	0.2025	0.2025
Toxoplasma gondii	microneme protein MIC17A	0.0553	0.1713	0.2381
Loa Loa (eye worm)	dihydrofolate reductase	0.0355	0.1085	0.1085
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0023	0.0042
Onchocerca volvulus	Putative cubilin	0.0584	0.1814	0.1814
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1227	0.3861	0.7002
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0046	0.0046
Schistosoma mansoni	voltage-gated potassium channel	0.0122	0.0342	0.0342
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0023	0.0042
Echinococcus granulosus	voltage gated potassium channel	0.0032	0.0056	0.01
Onchocerca volvulus		0.0553	0.1713	0.1713
Schistosoma mansoni	hypothetical protein	0.0651	0.2025	0.2025
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0023	0.0184
Loa Loa (eye worm)	PAN domain-containing protein	0.0553	0.1713	0.1713
Onchocerca volvulus		0.0651	0.2025	0.2025
Onchocerca volvulus		0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0651	0.2025	0.2025
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0064	0.0064
Echinococcus granulosus	protein jagged 1	0.0584	0.1814	0.3242
Echinococcus multilocularis	neurogenic locus notch protein	0.0584	0.1814	0.3242
Loa Loa (eye worm)	PAN domain-containing protein	0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0011
Echinococcus multilocularis	Tolloid protein 1	0.1124	0.3533	0.6315
Echinococcus multilocularis	Mastin	0.1772	0.5595	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.1227	0.3861	0.7002
Brugia malayi	Trypsin-like protease protein 5	0.0651	0.2025	0.2025
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0651	0.2025	0.2025
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0355	0.1085	0.3975
Schistosoma mansoni	60S ribosomal protein L21	0.0018	0.0009	0.0009
Echinococcus granulosus	laminin	0.1124	0.3533	0.6315
Echinococcus multilocularis	protein jagged 1	0.0584	0.1814	0.3242
Onchocerca volvulus		0.0584	0.1814	0.1814
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0553	0.1713	0.2381
Echinococcus granulosus	neurogenic locus notch protein	0.0584	0.1814	0.3242
Echinococcus granulosus	slit 2 protein	0.0584	0.1814	0.3242
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Onchocerca volvulus		0.0553	0.1713	0.1713
Echinococcus granulosus	dihydrofolate reductase	0.0355	0.1085	0.1939
Schistosoma mansoni	voltage-gated potassium channel	0.0018	0.0009	0.0009
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0023	0.0042
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	Notch2	0.0584	0.1814	0.1814
Onchocerca volvulus		0.0029	0.0046	0.0046
Echinococcus multilocularis	slit 2 protein	0.0584	0.1814	0.3242
Toxoplasma gondii	PAN domain-containing protein	0.2274	0.7195	1
Loa Loa (eye worm)	hypothetical protein	0.0651	0.2025	0.2025
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.0286	0.2246
Brugia malayi	GCC2 and GCC3 family protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0046	0.0046
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.003	0.011
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0023	0.0042
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0872	0.2729	0.2729
Onchocerca volvulus		0.0553	0.1713	0.1713
Echinococcus multilocularis	glycoprotein Antigen 5	0.1772	0.5595	1
Onchocerca volvulus		0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0007	0.0027
Toxoplasma gondii	hypothetical protein	0.0553	0.1713	0.2381
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Echinococcus granulosus	neurogenic locus notch protein 4	0.0584	0.1814	0.3242
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.003	0.0055
Onchocerca volvulus		0.0553	0.1713	0.1713
Echinococcus granulosus	protein jagged 2	0.0584	0.1814	0.3242
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0032	0.0056	0.0056
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.003	0.5
Toxoplasma gondii	hypothetical protein	0.0553	0.1713	0.2381
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0004	0.0004
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0872	0.2729	1
Onchocerca volvulus		0.1746	0.5514	0.5514
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0872	0.2729	1
Echinococcus granulosus	notch	0.0584	0.1814	0.3242
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Toxoplasma gondii	PAN domain-containing protein	0.0553	0.1713	0.2381
Toxoplasma gondii	PAN domain-containing protein	0.2274	0.7195	1
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1227	0.3861	0.5366
Onchocerca volvulus		0.0553	0.1713	0.1713
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.003	0.003
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0651	0.2025	0.3619
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0022	0.0023	0.0023
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.003	0.011
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.1124	0.3533	0.3533
Schistosoma mansoni	hypothetical protein	0.0035	0.0064	0.0064
Onchocerca volvulus		0.2504	0.7928	0.7928
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0011	0.0019
Brugia malayi	Trypsin family protein	0.0651	0.2025	0.2025
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Treponema pallidum	catabolite gene activator (Crp)	0.0015	0	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.003	0.0055
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0007	0.0027
Echinococcus multilocularis	dnaJ subfamily B	0.0418	0.1284	0.2295
Onchocerca volvulus		0.0553	0.1713	0.1713
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Echinococcus granulosus	cpg binding protein	0.0031	0.0052	0.0092
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Brugia malayi	Kringle domain containing protein	0.1746	0.5514	0.5514
Toxoplasma gondii	microneme protein, putative	0.0553	0.1713	0.2381
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0553	0.1713	0.2381
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Mycobacterium ulcerans	hypothetical protein	0.0651	0.2025	0.742
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0016	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.1124	0.3533	0.3533
Onchocerca volvulus		0.0553	0.1713	0.1713
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Toxoplasma gondii	PAN domain-containing protein	0.0553	0.1713	0.2381
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0004	0.0004
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.003	0.5
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Echinococcus multilocularis	voltage gated potassium channel	0.0032	0.0056	0.01
Loa Loa (eye worm)	PAN domain-containing protein	0.0553	0.1713	0.1713
Brugia malayi	Calcium binding EGF domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0112	0.0309	0.0309
Echinococcus granulosus	neurogenic locus notch protein	0.0584	0.1814	0.3242
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0007	0.0027
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0056	0.0056
Schistosoma mansoni	slit	0.0584	0.1814	0.1814
Echinococcus granulosus	dnaJ subfamily B	0.0418	0.1284	0.2295
Echinococcus multilocularis	fibrillin 1	0.1124	0.3533	0.6315
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1772	0.5595	0.5595
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Echinococcus multilocularis	tissue type plasminogen activator	0.1746	0.5514	0.9855
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0651	0.2025	0.3619
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0115	0.0115
Toxoplasma gondii	calcium binding egf domain-containing protein	0.1124	0.3533	0.4911
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0115	0.0115
Toxoplasma gondii	calcium binding egf domain-containing protein	0.1124	0.3533	0.4911
Echinococcus granulosus	enteropeptidase	0.1772	0.5595	1
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0355	0.1085	0.3975
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0651	0.2025	0.3619
Echinococcus granulosus	thymidylate synthase	0.0872	0.2729	0.4877
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Echinococcus multilocularis	dihydrofolate reductase	0.0355	0.1085	0.1939
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0023	0.0023
Onchocerca volvulus		0.0553	0.1713	0.1713
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.1124	0.3533	0.3533
Toxoplasma gondii	PAN domain-containing protein	0.0553	0.1713	0.2381
Brugia malayi	Trypsin family protein	0.0651	0.2025	0.2025
Echinococcus multilocularis	notch	0.0584	0.1814	0.3242
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0115	0.0115
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.1369	0.2483
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	TK/ROR protein kinase	0.1746	0.5514	0.5514
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0016	0.0004	0.0004
Echinococcus granulosus	delta-like protein 1	0.0584	0.1814	0.3242
Loa Loa (eye worm)	thymidylate synthase	0.0872	0.2729	0.2729
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.3155	1	1
Brugia malayi	Muscle positioning protein 4	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0445	0.1369	0.1369
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.003	0.011
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.3155	1	1
Loa Loa (eye worm)	hypothetical protein	0.1124	0.3533	0.3533
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.1124	0.3533	0.3533
Echinococcus granulosus	transmembrane protease serine 3	0.0651	0.2025	0.3619
Loa Loa (eye worm)	hypothetical protein	0.0227	0.0677	0.0677
Trypanosoma cruzi	hypothetical protein, conserved	0.1746	0.5514	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0052	0.0052
Onchocerca volvulus		0.0584	0.1814	0.1814
Echinococcus multilocularis	protein jagged 2	0.0584	0.1814	0.3242
Brugia malayi	Trypsin family protein	0.0651	0.2025	0.2025
Treponema pallidum	cyclic nucleotide binding protein	0.0015	0	0.5
Schistosoma mansoni	hypothetical protein	0.1746	0.5514	0.5514
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.003	0.011
Echinococcus granulosus	Mastin	0.1772	0.5595	1
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0022	0.0023	0.0042
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.0286	0.2246
Onchocerca volvulus		0.0584	0.1814	0.1814
Brugia malayi	Delta serrate ligand family protein	0.0584	0.1814	0.1814
Plasmodium falciparum	cysteine repeat modular protein 1	0.1746	0.5514	1
Toxoplasma gondii	subtilisin SUB12	0.0553	0.1713	0.2381
Brugia malayi	Calcium binding EGF domain containing protein	0.0584	0.1814	0.1814
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0032	0.0056	0.01
Onchocerca volvulus		0.0651	0.2025	0.2025
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.1369	0.3546
Giardia lamblia	High cysteine protein	0.0584	0.1814	1
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0355	0.1085	0.3975
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0022	0.0023	0.0042
Echinococcus multilocularis	laminin	0.1124	0.3533	0.6315
Loa Loa (eye worm)	hypothetical protein	0.0024	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0651	0.2025	0.2025
Brugia malayi	Dihydrofolate reductase	0.0355	0.1085	0.1085
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.003	0.011
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.1124	0.3533	0.3533
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Schistosoma mansoni	cell polarity protein	0.0584	0.1814	0.1814
Echinococcus multilocularis	thymidylate synthase	0.0872	0.2729	0.4877
Onchocerca volvulus		0.0651	0.2025	0.2025
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Echinococcus granulosus	neurogenic locus protein delta	0.0584	0.1814	0.3242
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.003	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.003	0.003
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0651	0.2025	0.3619
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0011
Schistosoma mansoni	cpg binding protein	0.0029	0.0046	0.0046
Schistosoma mansoni	voltage-gated potassium channel	0.0022	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0011
Onchocerca volvulus		0.0553	0.1713	0.1713
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.003	0.0055
Echinococcus granulosus	tissue type plasminogen activator	0.1746	0.5514	0.9855
Brugia malayi	EGF-like domain containing protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0024	0.003	0.003
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1227	0.3861	1
Treponema pallidum	cyclic nucleotide binding protein	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0023	0.0023
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.013	0.0181
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.003	0.011
Trichomonas vaginalis	conserved hypothetical protein	0.0415	0.1273	1
Loa Loa (eye worm)	hypothetical protein	0.0651	0.2025	0.2025
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1227	0.3861	0.7002
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Schistosoma mansoni	notch	0.0584	0.1814	0.1814
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0056	0.0056
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Onchocerca volvulus		0.0872	0.2729	0.2729
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0023	0.0042
Echinococcus multilocularis	protein jagged 1	0.0584	0.1814	0.3242
Toxoplasma gondii	microneme protein MIC17B	0.0553	0.1713	0.2381
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.003	0.011
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0584	0.1814	0.3242
Loa Loa (eye worm)	hypothetical protein	0.1746	0.5514	0.5514
Loa Loa (eye worm)	hypothetical protein	0.1124	0.3533	0.3533
Onchocerca volvulus		0.0553	0.1713	0.1713
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0023	0.0023
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.3155	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0011	0.0019
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0022	0.0023	0.0023
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0023	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.003	0.011
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0022	0.0023	0.0023
Brugia malayi	hypothetical protein	0.0651	0.2025	0.2025
Onchocerca volvulus		0.0024	0.003	0.003
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.1369	0.1369
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1227	0.3861	0.7002
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0004	0.0008
Schistosoma mansoni	hypothetical protein	0.0584	0.1814	0.1814
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0415	0.1273	0.231
Chlamydia trachomatis	dihydrofolate reductase	0.0355	0.1085	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.003	0.003
Schistosoma mansoni	laminin gamma-3 chain	0.0584	0.1814	0.1814
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0011	0.0011
Echinococcus multilocularis	neural cadherin	0.0584	0.1814	0.3242
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0016	0.0004	0.0004
Schistosoma mansoni	cpg binding protein	0.0031	0.0052	0.0052
Echinococcus multilocularis	fibropellin Ia	0.0584	0.1814	0.3242
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.003	0.011
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Echinococcus granulosus	Tolloid protein 1	0.1124	0.3533	0.6315
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.1369	0.2483
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.1124	0.3533	0.3533
Echinococcus multilocularis	cpg binding protein	0.0031	0.0052	0.0092
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0112	0.0309	0.0553
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0032	0.0056	0.01
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0112	0.0309	0.0309
Echinococcus multilocularis	neurogenic locus protein delta	0.0584	0.1814	0.3242
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0004	0.0008
Onchocerca volvulus	Neurogenic locus notch homolog	0.0584	0.1814	0.1814
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.003	0.011
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0023	0.0184
Echinococcus granulosus	glycoprotein Antigen 5	0.1772	0.5595	1
Loa Loa (eye worm)	trypsin family protein	0.0651	0.2025	0.2025
Echinococcus multilocularis	neurogenic locus protein delta	0.0584	0.1814	0.3242
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0584	0.1814	0.3242
Brugia malayi	PAN domain containing protein	0.0553	0.1713	0.1713
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0151	0.0151
Brugia malayi	notch-like transmembrane receptor	0.0584	0.1814	0.1814
Onchocerca volvulus		0.0584	0.1814	0.1814
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Echinococcus granulosus	neural cadherin	0.0584	0.1814	0.3242
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0004	0.0004
Toxoplasma gondii	EGF family domain-containing protein	0.0584	0.1814	0.2521
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0584	0.1814	0.1814
Schistosoma mansoni	septate junction protein	0.0584	0.1814	0.1814
Brugia malayi	dihydrofolate reductase family protein	0.0355	0.1085	0.1085
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0004	0.0008
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0004	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Schistosoma mansoni	hypothetical protein	0.0016	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Onchocerca volvulus		0.0651	0.2025	0.2025
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0011	0.0039
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0022	0.0023	0.0023
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0011	0.0039
Toxoplasma gondii	PAN domain-containing protein	0.0553	0.1713	0.2381
Schistosoma mansoni	cercarial elastase (S01 family)	0.0651	0.2025	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0651	0.2025	0.2025
Echinococcus multilocularis	enteropeptidase	0.1772	0.5595	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0007	0.0027
Toxoplasma gondii	kringle domain-containing protein	0.1746	0.5514	0.7663
Loa Loa (eye worm)	hypothetical protein	0.0553	0.1713	0.1713
Echinococcus granulosus	protein jagged 1	0.0584	0.1814	0.3242
Schistosoma mansoni	dihydrofolate reductase	0.0355	0.1085	0.1085
Onchocerca volvulus	Arrow homolog	0.1124	0.3533	0.3533
Brugia malayi	Calcium binding EGF domain containing protein	0.1124	0.3533	0.3533
Echinococcus granulosus	fibropellin Ia	0.0584	0.1814	0.3242
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0023	0.0042
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0011	0.0097
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.003	0.011
Brugia malayi	Protein kinase domain containing protein	0.1746	0.5514	0.5514
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0584	0.1814	0.1814
Brugia malayi	hypothetical protein	0.0415	0.1273	0.1273
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0022	0.0023	0.0042
Loa Loa (eye worm)	PAN domain-containing protein	0.0553	0.1713	0.1713

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 72 nM	Potency at the sigma binding site was determined in radioligand	ChEMBL.	1315869
IC50 (binding)	= 72 nM	Potency at the sigma binding site was determined in radioligand	ChEMBL.	1315869
IC50 (binding)	= 73 nM	Potency at the sigma binding site was determined in radioligand	ChEMBL.	1315869
IC50 (binding)	= 73 nM	Potency at the sigma binding site was determined in radioligand	ChEMBL.	1315869
Ki (binding)	= 1400 nM	Affinity towards dopamine receptor D2 was determined by competition studies using [3H]-sulpiride in rat striatum.	ChEMBL.	1315869
Ki (binding)	= 1400 nM	Affinity towards dopamine receptor D2 was determined by competition studies using [3H]-sulpiride in rat striatum.	ChEMBL.	1315869

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: CHEMBL36491

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 53000