TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.017 | Formula: C24H29ClN2O2S
H donors: 0 H acceptors: 1 LogP: 5.77 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)Cc1nc2c(n1CC1CCOCC1)cc(c(c2)SCC)Cl
InChi: 1S/C24H29ClN2O2S/c1-3-29-19-7-5-17(6-8-19)13-24-26-21-15-23(30-4-2)20(25)14-22(21)27(24)16-18-9-11-28-12-10-18/h5-8,14-15,18H,3-4,9-13,16H2,1-2H3
InChiKey: OEOPNXGQKHRKGK-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	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.007	0.007
Echinococcus granulosus	3'2'5' bisphosphate nucleotidase 1	0.0004	0.0018	0.0027
Echinococcus multilocularis	netrin receptor unc 5	0.0013	0.0188	0.0273
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0004	0.0007	0.0011
Trichomonas vaginalis	ferritin, putative	0.0008	0.0102	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0007	0.0007
Echinococcus granulosus	geminin	0.0181	0.3469	0.5027
Trichomonas vaginalis	helicase, putative	0.0006	0.0048	0.0096
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0822	0.0822
Loa Loa (eye worm)	hypothetical protein	0.001	0.0127	0.0127
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0688	0.0688
Loa Loa (eye worm)	histone methyltransferase	0.0008	0.0089	0.0089
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0688	0.1433
Mycobacterium ulcerans	monophosphatase CysQ	0.0004	0.0018	0.0022
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.001	0.0127	0.0348
Onchocerca volvulus		0.0039	0.0688	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0007	0.007	0.007
Mycobacterium ulcerans	hypothetical protein	0.0165	0.3157	1
Trypanosoma brucei	unspecified product	0.0006	0.0045	0.0072
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0688	0.2134
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0688	0.2134
Chlamydia trachomatis	hydrolase	0.001	0.0127	1
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0013	0.0188	0.0273
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0007	0.007	0.007
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0007	0.007	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0708	0.2196
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.004	0.0708	0.2196
Schistosoma mansoni	protein kinase	0.0006	0.0045	0.0066
Trypanosoma brucei	inositol polyphosphate 1-phosphatase, putative	0.0004	0.0018	0.0015
Echinococcus granulosus	dnaJ subfamily B	0.0358	0.6901	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0688	0.1433
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Brugia malayi	beta-lactamase	0.0039	0.0688	0.0688
Mycobacterium ulcerans	bacterioferritin BfrA	0.0008	0.0102	0.0287
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0165	0.3157	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.007	0.007
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0053	0.0975	0.1412
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.0708	0.1025
Mycobacterium ulcerans	lysophospholipase	0.0165	0.3157	1
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0165	0.3157	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0004	0.0011	0.0011
Leishmania major	myo-inositol-1 phosphatase, putative	0.0004	0.0018	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0688	0.0688
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.4732	1
Schistosoma mansoni	pap-inositol-14-phosphatase	0.0004	0.0018	0.0027
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.001	0.0127	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0188	0.0188
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Trypanosoma brucei	monoglyceride lipase, putative	0.0165	0.3157	0.6721
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Echinococcus granulosus	ferritin	0.0008	0.0102	0.0147
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.001	0.0127	0.0369
Schistosoma mansoni	hypothetical protein	0.0004	0.0011	0.0017
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0006	0.0059	0.0086
Brugia malayi	Muscleblind-like protein	0.016	0.3051	0.3051
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0007	0.007	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0007	0.0007
Loa Loa (eye worm)	CYP4Cod1	0.0004	0.0011	0.0011
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Trypanosoma brucei	Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative	0.0006	0.0045	0.0072
Schistosoma mansoni	hypothetical protein	0.0006	0.0045	0.0066
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0008	0.0102	0.0191
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0007	0.007	0.007
Schistosoma mansoni	coup transcription factor	0.0007	0.007	0.0101
Schistosoma mansoni	cytochrome P450	0.0004	0.0011	0.0017
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0688	0.1433
Mycobacterium ulcerans	monophosphatase CysQ	0.0004	0.0018	0.0022
Echinococcus granulosus	inositol monophosphatase	0.0004	0.0018	0.0027
Toxoplasma gondii	hypothetical protein	0.001	0.0127	0.1361
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Leishmania major	monoglyceride lipase, putative	0.0165	0.3157	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0087	0.0087
Schistosoma mansoni	RAR-like nuclear receptor	0.0007	0.007	0.0101
Mycobacterium leprae	Probable monophosphatase	0.0004	0.0018	0.0022
Schistosoma mansoni	hypothetical protein	0.0181	0.3469	0.5027
Plasmodium falciparum	esterase, putative	0.0165	0.3157	1
Schistosoma mansoni	hypothetical protein	0.0004	0.0018	0.0027
Mycobacterium tuberculosis	Possible lysophospholipase	0.0165	0.3157	0.6664
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0688	0.2151
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.007	0.007
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0013	0.0188	0.0188
Onchocerca volvulus		0.0007	0.007	0.1014
Schistosoma mansoni	inositol monophosphatase	0.004	0.0708	0.1025
Toxoplasma gondii	hypothetical protein	0.001	0.0127	0.1361
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.001	0.0127	0.0185
Onchocerca volvulus		0.0006	0.0045	0.066
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0006	0.0045	0.0066
Trichomonas vaginalis	reverse transcriptases, putative	0.0006	0.0045	0.0086
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0822	0.1191
Echinococcus granulosus	tar DNA binding protein	0.0068	0.1258	0.1823
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0004	0.0007	0.0011
Brugia malayi	Inositol monophosphatase family protein	0.0004	0.0018	0.0018
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0688	0.2151
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Brugia malayi	nuclear hormone receptor	0.0007	0.007	0.007
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0007	0.007	0.007
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0006	0.0045	0.0066
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0165	0.3157	1
Brugia malayi	hypothetical protein	0.0004	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor-like 1	0.0004	0.0007	0.0007
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Brugia malayi	hypothetical protein	0.0006	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Schistosoma mansoni	ferritin light chain	0.0008	0.0102	0.0147
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.1258	0.1258
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0165	0.3157	1
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.007	0.0101
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Trypanosoma cruzi	serine peptidase, putative	0.001	0.0127	0.0369
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.001	0.0127	0.0248
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0007	0.007	0.007
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.001	0.0127	0.0348
Schistosoma mansoni	cpg binding protein	0.0027	0.0455	0.0659
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0018	0.0018
Schistosoma mansoni	hypothetical protein	0.0244	0.4692	0.6798
Leishmania major	hypothetical protein, conserved	0.001	0.0127	0.0369
Brugia malayi	Zinc knuckle family protein	0.0006	0.0045	0.0045
Echinococcus granulosus	Ankyrin	0.0013	0.019	0.0276
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1258	0.1823
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0822	0.1191
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1258	0.1823
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0688	0.2134
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0708	0.2213
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0006	0.0045	0.0066
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0708	0.2196
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0165	0.3157	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0007	0.007	0.007
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0006	0.0045	0.0066
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.001	0.0127	0.0369
Toxoplasma gondii	hypothetical protein	0.0004	0.0018	0.0081
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0007	0.007	0.0101
Brugia malayi	Zinc knuckle family protein	0.0006	0.0045	0.0045
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0008	0.0102	0.0191
Toxoplasma gondii	hypothetical protein	0.001	0.0127	0.1361
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.001	0.0127	0.1361
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0006	0.0045	0.0066
Loa Loa (eye worm)	hypothetical protein	0.016	0.3051	0.3051
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0004	0.0007	0.0011
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.001	0.0127	0.0248
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0006	0.0045	0.066
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0013	0.0188	0.0188
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.001	0.0127	0.0348
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0822	0.1191
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.001	0.0127	0.0348
Loa Loa (eye worm)	hypothetical protein	0.001	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Echinococcus granulosus	KRAB A domain containing protein	0.0006	0.0045	0.0066
Mycobacterium tuberculosis	Conserved hypothetical protein	0.001	0.0127	0.0246
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0708	0.1487
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0059	0.0086
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Brugia malayi	MGC79044 protein	0.001	0.0127	0.0127
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0008	0.0102	0.0287
Echinococcus multilocularis	geminin	0.0181	0.3469	0.5027
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Schistosoma mansoni	cpg binding protein	0.0025	0.0427	0.0618
Toxoplasma gondii	ABC1 family protein	0.0039	0.0688	0.7937
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.0708	0.2196
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0066	0.1221	0.1769
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0165	0.3157	1
Trypanosoma brucei	RNA helicase, putative	0.0244	0.4692	1
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.001	0.0127	0.0248
Onchocerca volvulus	Protein ultraspiracle homolog	0.0007	0.007	0.1014
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Mycobacterium ulcerans	lipase LipD	0.0039	0.0688	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0822	0.1191
Echinococcus multilocularis	muscleblind protein 1	0.016	0.3051	0.4421
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0048	0.0096
Brugia malayi	reverse transcriptase	0.0006	0.0045	0.0045
Echinococcus granulosus	abhydrolase domain containing 3	0.001	0.0127	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0007	0.007	0.007
Plasmodium falciparum	lysophospholipase, putative	0.0165	0.3157	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0007	0.007	0.0101
Entamoeba histolytica	hypothetical protein	0.001	0.0127	0.0348
Mycobacterium tuberculosis	Possible maturase	0.0006	0.0045	0.0072
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.001	0.0127	0.0369
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0688	0.2151
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.007	0.0101
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	0.0004	0.0018	0.0015
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0006	0.0045	0.0066
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.007	0.0101
Brugia malayi	Cytochrome P450 family protein	0.0004	0.0011	0.0011
Echinococcus multilocularis	abhydrolase domain containing 3	0.001	0.0127	0.0185
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0688	0.2134
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0688	0.185
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0688	0.1433
Schistosoma mansoni	hypothetical protein	0.0004	0.0018	0.0027
Trypanosoma brucei	SLACS retrotransposable element (part), putative	0.0006	0.0045	0.0072
Brugia malayi	Death domain containing protein	0.0013	0.0188	0.0188
Trichomonas vaginalis	esterase, putative	0.0039	0.0688	0.2134
Echinococcus granulosus	cytochrome P450 2K1	0.0004	0.0011	0.0017
Onchocerca volvulus		0.0039	0.0688	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0007	0.007	0.0101
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.001	0.0127	0.1361
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0006	0.0045	0.2476
Loa Loa (eye worm)	hypothetical protein	0.001	0.0127	0.0127
Leishmania major	hypothetical protein, conserved	0.001	0.0127	0.0369
Plasmodium vivax	PST-A protein	0.0165	0.3157	1
Trypanosoma brucei	ingi protein (ORF1)	0.0006	0.0045	0.0072
Brugia malayi	beta-lactamase family protein	0.0039	0.0688	0.0688
Trypanosoma brucei	monoglyceride lipase, putative	0.0165	0.3157	0.6721
Brugia malayi	Inositol-1	0.004	0.0708	0.0708
Trypanosoma brucei	ingi protein (ORF1)	0.0006	0.0045	0.0072
Onchocerca volvulus		0.0039	0.0688	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0007	0.007	0.0101
Trichomonas vaginalis	conserved hypothetical protein	0.0165	0.3157	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Echinococcus multilocularis	FTZ F1 alpha	0.0007	0.007	0.0101
Leishmania major	inositol polyphosphate 1-phosphatase, putative	0.0004	0.0018	0.0022
Echinococcus granulosus	FTZ F1 alpha	0.0007	0.007	0.0101
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.001	0.0127	0.0185
Plasmodium falciparum	lysophospholipase, putative	0.0165	0.3157	1
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.001	0.0127	0.0369
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0688	0.0997
Echinococcus multilocularis	inositol monophosphatase	0.0004	0.0018	0.0027
Mycobacterium leprae	POSSIBLE MONOPHOSPHATASE CYSQ	0.0004	0.0018	0.0022
Loa Loa (eye worm)	cytochrome P450 family protein	0.0004	0.0011	0.0011
Brugia malayi	hypothetical protein	0.0006	0.0045	0.0045
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0822	0.0822
Brugia malayi	Cytochrome P450 family protein	0.0004	0.0011	0.0011
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Echinococcus multilocularis	RNA directed DNA polymerase	0.0006	0.0045	0.0066
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.001	0.0127	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0018	0.0018
Brugia malayi	photoreceptor-specific nuclear receptor	0.0007	0.007	0.007
Brugia malayi	steroid hormone receptor	0.0007	0.007	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.0165	0.3157	1
Echinococcus granulosus	cpg binding protein	0.0027	0.0455	0.0659
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0.0102	0.5
Brugia malayi	CXXC zinc finger family protein	0.0025	0.0427	0.0427
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.001	0.0127	0.0185
Onchocerca volvulus		0.0006	0.0045	0.066
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.001	0.0127	0.0348
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0358	0.6901	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0688	0.1433
Toxoplasma gondii	peptidase S15, putative	0.001	0.0127	0.1361
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1258	0.1823
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.007	0.007
Brugia malayi	reverse transcriptase	0.0006	0.0045	0.0045
Schistosoma mansoni	myo inositol monophosphatase	0.0004	0.0018	0.0027
Giardia lamblia	Reverse transcriptase/endonuclease	0.0006	0.0045	0.2476
Echinococcus multilocularis	dnaJ subfamily B	0.0358	0.6901	1
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0006	0.0045	0.2476
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0008	0.0011
Trypanosoma cruzi	serine peptidase, putative	0.001	0.0127	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0007	0.0007
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0048	0.0096
Brugia malayi	Uncoordinated protein 44	0.0013	0.0188	0.0188
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.0708	0.8164
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0006	0.0045	0.2476
Mycobacterium ulcerans	hypothetical protein	0.001	0.0127	0.0369
Brugia malayi	reverse transcriptase	0.0006	0.0045	0.0045
Brugia malayi	beta-lactamase family protein	0.0039	0.0688	0.0688
Schistosoma mansoni	retinoic acid receptor RXR	0.0007	0.007	0.0101
Chlamydia trachomatis	acyltransferase family protein	0.001	0.0127	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0013	0.0188	0.0273
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.001	0.0127	0.0348
Trypanosoma cruzi	hypothetical protein, conserved	0.0006	0.0045	0.0108
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1258	0.1823
Loa Loa (eye worm)	hypothetical protein	0.016	0.3051	0.3051
Brugia malayi	nuclear receptor RXR	0.0004	0.0007	0.0007
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.001	0.0127	0.0348
Schistosoma mansoni	cpg binding protein	0.0027	0.0455	0.0659
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.0708	0.1025
Toxoplasma gondii	phospholipase	0.001	0.0127	0.1361
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Giardia lamblia	Reverse transcriptase/endonuclease, putative	0.0006	0.0045	0.2476
Loa Loa (eye worm)	hypothetical protein	0.001	0.0127	0.0127
Toxoplasma gondii	protein c14orf29, putative	0.001	0.0127	0.1361
Mycobacterium ulcerans	hypothetical protein	0.001	0.0127	0.0369
Brugia malayi	Cytochrome P450 family protein	0.0004	0.0011	0.0011
Brugia malayi	cytochrome P450	0.0004	0.0011	0.0011
Echinococcus multilocularis	Phospholipase carboxylesterase	0.001	0.0127	0.0185
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0025	0.0427	0.0427
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0007	0.007	0.007
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0007	0.007	0.0101
Loa Loa (eye worm)	cytochrome P450 family protein	0.0004	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0007	0.007	0.007
Brugia malayi	nuclear receptor NHR-88	0.0007	0.007	0.007
Brugia malayi	Inositol monophosphatase family protein	0.0004	0.0018	0.0018
Echinococcus multilocularis	muscleblind protein	0.016	0.3051	0.4421
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0007	0.007	0.007
Brugia malayi	RNA binding protein	0.0068	0.1258	0.1258
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0688	0.2151
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	0.0004	0.0018	0.0022
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Trichomonas vaginalis	reverse transcriptases, putative	0.0006	0.0045	0.0086
Mycobacterium ulcerans	monophosphatase	0.0004	0.0018	0.0022
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0007	0.007	0.0101
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0089	0.0129
Schistosoma mansoni	ferritin	0.0008	0.0102	0.0147
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0007	0.007	0.0101
Brugia malayi	MGC83647 protein	0.001	0.0127	0.0127
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.001	0.0127	0.0185
Leishmania major	hypothetical protein, conserved	0.0039	0.0688	0.2151
Echinococcus granulosus	netrin receptor unc 5	0.0013	0.0188	0.0273
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0627	0.1956
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0007	0.007	0.0101
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0688	0.0997
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0059	0.0086
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0013	0.019	0.0276
Loa Loa (eye worm)	steroid hormone receptor	0.0007	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Schistosoma mansoni	hypothetical protein	0.0181	0.3469	0.5027
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0688	0.2151
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Brugia malayi	Cytochrome P450 family protein	0.0004	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0007	0.007	0.0101
Brugia malayi	hypothetical protein	0.0006	0.0045	0.0045
Trichomonas vaginalis	NeSL-1_NeSL reverse transcriptases, putative	0.0006	0.0045	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0007	0.0007
Onchocerca volvulus	Inositol monophosphatase 3 homolog	0.0004	0.0018	0.0267
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0708	0.2213
Echinococcus multilocularis	ferritin	0.0008	0.0102	0.0147
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0006	0.0045	0.0066
Echinococcus granulosus	death domain containing protein	0.0013	0.0188	0.0273
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0688	0.2151
Trypanosoma brucei	hypothetical protein, conserved	0.0006	0.0045	0.0072
Brugia malayi	ecdysteroid receptor	0.0007	0.007	0.007
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.001	0.0127	0.0369
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.1258	0.1823
Echinococcus granulosus	muscleblind protein	0.016	0.3051	0.4421
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0089	0.0129
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0004	0.0007	0.0011
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.001	0.0127	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0007	0.007	0.0101
Brugia malayi	Nuclear hormone receptor-like 1	0.0004	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0007	0.0007
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.004	0.0708	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0007	0.007	0.007
Echinococcus multilocularis	3'(2'),5' bisphosphate nucleotidase 1	0.0004	0.0018	0.0027
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0708	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0517	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0007	0.007	0.0101
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0006	0.0059	0.0086
Toxoplasma gondii	hypothetical protein	0.001	0.0127	0.1361
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Echinococcus granulosus	ecdysone induced protein 78C	0.0007	0.007	0.0101
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0688	0.0997
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0059	0.0086
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1258	0.1823
Brugia malayi	Protein kinase domain containing protein	0.0013	0.0188	0.0188
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0688	0.2134
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0127	0.0348
Trichomonas vaginalis	reverse transcriptase [C. elegans], putative	0.0006	0.0045	0.0086
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Echinococcus granulosus	abhydrolase domain containing protein 13	0.001	0.0127	0.0185
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0165	0.3157	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0822	0.1191
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0688	0.1433
Echinococcus granulosus	RNA directed DNA polymerase	0.0006	0.0045	0.0066
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0165	0.3157	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0007	0.007	0.0101
Schistosoma mansoni	ferritin	0.0008	0.0102	0.0147
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0013	0.019	0.019
Schistosoma mansoni	hypothetical protein	0.0006	0.0045	0.0066
Brugia malayi	hypothetical protein	0.0006	0.0045	0.0045
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0822	0.1191
Toxoplasma gondii	phospholipase/carboxylesterase	0.001	0.0127	0.1361
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0048	0.0864	1
Trypanosoma brucei	SLACS reverse transcriptase, putative	0.0006	0.0045	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0688	0.1433
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.001	0.0127	0.0348
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Entamoeba histolytica	hypothetical protein	0.001	0.0127	0.0348
Mycobacterium ulcerans	inositol-monophosphatase ImpA	0.0004	0.0018	0.0022
Schistosoma mansoni	peptidase	0.001	0.0127	0.0185
Schistosoma mansoni	hypothetical protein	0.0013	0.0188	0.0273
Schistosoma mansoni	ferritin	0.0008	0.0102	0.0147
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0007	0.007	0.007
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0627	0.1304
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0007	0.007	0.007
Brugia malayi	Pao retrotransposon peptidase family protein	0.0006	0.0045	0.0045
Onchocerca volvulus	Bile acid receptor homolog	0.0007	0.007	0.1014
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0006	0.0045	0.0072
Schistosoma mansoni	netrin receptor unc5	0.0013	0.0188	0.0273
Mycobacterium ulcerans	hydrolase	0.001	0.0127	0.0369
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	0.0004	0.0018	0.0022
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.004	0.0708	0.2213
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.1258	0.1258
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.001	0.0127	0.0348
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0007	0.007	0.007
Schistosoma mansoni	apoferritin-2	0.0008	0.0102	0.0147
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0822	0.1191
Schistosoma mansoni	ferritin	0.0008	0.0102	0.0147
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0007	0.007	0.0101
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0165	0.3157	1
Schistosoma mansoni	ankyrin 23/unc44	0.0013	0.0188	0.0273
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0688	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.007
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.0688
Loa Loa (eye worm)	hypothetical protein	0.001	0.0127	0.0127
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0688	0.1433
Onchocerca volvulus		0.0025	0.0427	0.62
Echinococcus granulosus	Phospholipase carboxylesterase	0.001	0.0127	0.0185
Mycobacterium tuberculosis	Probable monophosphatase	0.0004	0.0018	0.0015
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.1258	0.1258
Echinococcus granulosus	expressed protein	0.0008	0.0102	0.0147
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0007	0.007	0.1014
Echinococcus multilocularis	ecdysone induced protein 78C	0.0007	0.007	0.0101
Echinococcus multilocularis		0.0004	0.0011	0.0017
Loa Loa (eye worm)	cytochrome P450	0.0004	0.0011	0.0011
Echinococcus multilocularis	cpg binding protein	0.0027	0.0455	0.0659
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0048	0.0096
Mycobacterium tuberculosis	Monophosphatase CysQ	0.0004	0.0018	0.0015
Onchocerca volvulus	Netrin receptor homolog	0.0013	0.0188	0.2735
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0004	0.0007	0.0007
Schistosoma mansoni	ferritin light chain	0.0008	0.0102	0.0147
Schistosoma mansoni	apoferritin-2	0.0008	0.0102	0.0147
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0007	0.007	0.0101
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0688	0.2151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0007	0.007	0.007
Brugia malayi	hypothetical protein	0.0004	0.0007	0.0007
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0688	0.1446
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0688	0.0688
Echinococcus multilocularis	Ankyrin	0.0013	0.019	0.0276
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0688	0.2151
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0688	0.1433
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.001	0.0127	0.0348
Entamoeba histolytica	;Alias	0.001	0.0127	0.0348
Schistosoma mansoni	inositol monophosphatase	0.004	0.0708	0.1025
Schistosoma mansoni	nuclear hormone receptor	0.0007	0.007	0.0101
Trypanosoma cruzi	monoglyceride lipase, putative	0.0165	0.3157	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0007	0.007	0.007
Mycobacterium ulcerans	bacterioferritin BfrB	0.0008	0.0102	0.0287
Plasmodium falciparum	lysophospholipase, putative	0.0165	0.3157	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0007	0.007	0.0101
Brugia malayi	Steroid receptor seven-up type 2	0.0007	0.007	0.007
Echinococcus multilocularis	expressed protein	0.0008	0.0102	0.0147
Brugia malayi	Protein C20orf22	0.001	0.0127	0.0127
Brugia malayi	TAR-binding protein	0.0068	0.1258	0.1258
Loa Loa (eye worm)	inositol-1	0.004	0.0708	0.0708
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0045	0.0066
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0007	0.007	0.0101
Loa Loa (eye worm)	RNA binding protein	0.0068	0.1258	0.1258
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0048	0.0096
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0066	0.1221	0.1769
Schistosoma mansoni	thyroid hormone receptor	0.0007	0.007	0.0101
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0688	0.0997
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0007	0.007	0.007
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0007	0.007	0.0101

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 4 nM	Agonist activity at human CB2 receptor	ChEMBL.	18394887
EC50 (functional)	= 4 nM	Agonist activity at human CB2 receptor	ChEMBL.	18394887
Ratio EC50 (binding)	= 75	Ratio of EC50 for CB2 receptor (unknown origin) to EC50 for CB1 receptor (unknow origin)	ChEMBL.	18394887
Stabilty (ADMET)	= 98 %	Metabolic stability in human liver microsomes after 15 mins	ChEMBL.	18394887

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: CHEMBL403045

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 510229