TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 531.661 | Formula: C32H38FN3O3
H donors: 2 H acceptors: 3 LogP: 4.91 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)CN1CCC(CC1)NC(=O)N(CC(=O)C(O)(C)C)Cc1ccc(cc1)c1ccc(cc1)F
InChi: 1S/C32H38FN3O3/c1-23-4-6-24(7-5-23)20-35-18-16-29(17-19-35)34-31(38)36(22-30(37)32(2,3)39)21-25-8-10-26(11-9-25)27-12-14-28(33)15-13-27/h4-15,29,39H,16-22H2,1-3H3,(H,34,38)
InChiKey: NNJUFGDODAVKHV-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	melanin-concentrating hormone receptor 1	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H3	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
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.012	0.041	0.208
Onchocerca volvulus		0.0438	0.1643	0.6009
Plasmodium vivax	JmjC domain containing protein	0.0059	0.0174	0.5569
Echinococcus granulosus	intermediate filament protein	0.0027	0.005	0.0045
Schistosoma mansoni	phd/f-box containing protein	0.0059	0.0174	0.0169
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0116	0.0111
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0056	0.0162	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Schistosoma mansoni	hypothetical protein	0.002	0.0022	0.0016
Loa Loa (eye worm)	jmjC domain-containing protein	0.0224	0.0814	0.0814
Brugia malayi	AF-10 protein	0.0029	0.0054	0.0054
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.041	0.208
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0438	0.1643	1
Echinococcus granulosus	jumonji domain containing protein	0.0122	0.0416	0.041
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0039	0.0094	0.0089
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0098	0.0283
Brugia malayi	hypothetical protein	0.0438	0.1643	0.1642
Schistosoma mansoni	chromobox protein	0.0071	0.0219	0.0214
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0053	0.016
Leishmania major	hypothetical protein, conserved	0.0059	0.0174	0.3588
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0086	0.3315
Brugia malayi	hypothetical protein	0.002	0.0022	0.0021
Schistosoma mansoni	lamin	0.0027	0.005	0.0045
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0116	0.0111
Onchocerca volvulus		0.0028	0.0052	0.0112
Brugia malayi	hypothetical protein	0.002	0.0022	0.0021
Echinococcus multilocularis	cpg binding protein	0.0029	0.0058	0.0053
Onchocerca volvulus		0.0438	0.1643	0.6009
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0637	0.0637
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0022	0.0016
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Echinococcus multilocularis	JmjC domain containing protein 4	0.0059	0.0174	0.0169
Echinococcus granulosus	acetylcholinesterase	0.259	1	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0424	0.1588	0.9651
Trichomonas vaginalis	set domain proteins, putative	0.0715	0.272	0.8214
Echinococcus multilocularis	phd:f box containing protein	0.0059	0.0174	0.0169
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0139	0.0138
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.0174	0.0169
Echinococcus granulosus	neuroligin	0.0438	0.1643	0.1638
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Brugia malayi	Carboxylesterase family protein	0.0438	0.1643	0.1642
Brugia malayi	hypothetical protein	0.0025	0.0042	0.0042
Schistosoma mansoni	lipoxygenase	0.0056	0.0162	0.0157
Schistosoma mansoni	cpg binding protein	0.0028	0.0052	0.0046
Echinococcus multilocularis	jumonji domain containing 1A	0.0059	0.0174	0.0169
Echinococcus granulosus	chromobox protein 1	0.0071	0.0219	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0161	0.324
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0174	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Schistosoma mansoni	cpg binding protein	0.0029	0.0058	0.0053
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0086	0.026
Onchocerca volvulus		0.0438	0.1643	0.6009
Brugia malayi	PHD-finger family protein	0.003	0.0061	0.006
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.041	0.0405
Onchocerca volvulus		0.0438	0.1643	0.6009
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0052	0.0051
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.011	0.0331
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0116	0.0115
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Echinococcus granulosus	jumonji domain containing 1A	0.0059	0.0174	0.0169
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0091	0.0295	0.689
Onchocerca volvulus		0.0027	0.005	0.0106
Brugia malayi	Pre-SET motif family protein	0.0091	0.0295	0.0295
Echinococcus granulosus	lysine specific demethylase 6a	0.0059	0.0174	0.0169
Loa Loa (eye worm)	carboxylesterase	0.0438	0.1643	0.1642
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0867	0.3311	0.5
Brugia malayi	Carboxylesterase family protein	0.0438	0.1643	0.1642
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0438	0.1643	0.1638
Echinococcus granulosus	para nitrobenzyl esterase	0.0438	0.1643	0.1638
Plasmodium vivax	hypothetical protein, conserved	0.0087	0.0283	0.9533
Onchocerca volvulus		0.0438	0.1643	0.6009
Schistosoma mansoni	lamin	0.0027	0.005	0.0045
Onchocerca volvulus		0.0715	0.272	1
Brugia malayi	jmjC domain containing protein	0.0059	0.0174	0.0173
Treponema pallidum	fructose-bisphosphate aldolase	0.0867	0.3311	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0005	0.0005
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0867	0.3311	0.5
Echinococcus multilocularis	acetylcholinesterase	0.259	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0438	0.1643	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0048	0.0048
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0403	0.1508	0.1504
Onchocerca volvulus		0.0102	0.0341	0.1182
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0042	0.0792
Schistosoma mansoni	hypothetical protein	0.0173	0.0614	0.0609
Schistosoma mansoni	chromobox protein	0.0071	0.0219	0.0214
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0087	0.0283	0.0278
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0646	0.0645
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0022	0.0016
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0438	0.1643	0.1638
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0086	0.3315
Brugia malayi	jmjC domain containing protein	0.0059	0.0174	0.0173
Onchocerca volvulus		0.0037	0.0086	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0053	0.016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0116	0.0111
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0056	0.0162	0.0157
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0086	0.026
Loa Loa (eye worm)	hypothetical protein	0.003	0.0061	0.006
Loa Loa (eye worm)	hypothetical protein	0.259	1	1
Schistosoma mansoni	hypothetical protein	0.0173	0.0614	0.0609
Brugia malayi	Pre-SET motif family protein	0.0628	0.2383	0.2382
Trichomonas vaginalis	esterase, putative	0.0037	0.0086	0.026
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.003	0.0061	0.1512
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0116	0.0115
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0022	0.0016
Echinococcus granulosus	histone lysine methyltransferase setb	0.0091	0.0295	0.029
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0059	0.0174	1
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0219	0.0214
Brugia malayi	beta-lactamase family protein	0.0037	0.0086	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0438	0.1643	0.1638
Schistosoma mansoni	hypothetical protein	0.0397	0.1484	0.1479
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.259	1	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0015	0.0002	0.0005
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.0295	0.029
Schistosoma mansoni	lipoxygenase	0.002	0.0022	0.0016
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0174	0.0173
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0022	0.0016
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0022	0.0016
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0029	0.0054	0.0925
Schistosoma mansoni	rab6-interacting	0.002	0.0022	0.0016
Echinococcus multilocularis	lamin	0.0027	0.005	0.0045
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Brugia malayi	PHD-finger family protein	0.0087	0.0283	0.0282
Schistosoma mansoni	jumonji domain containing protein	0.0344	0.128	0.1275
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0438	0.1643	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.011	0.0331
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Brugia malayi	jmjC domain containing protein	0.0224	0.0814	0.0814
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.1484	0.1479
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0005	0.0005
Toxoplasma gondii	PHD-finger domain-containing protein	0.0087	0.0283	0.6542
Schistosoma mansoni	hypothetical protein	0.0087	0.0283	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0027	0.005	0.005
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0086	0.026
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0086	0.0081
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0087	0.0283	0.0278
Echinococcus multilocularis	lamin dm0	0.0027	0.005	0.0045
Echinococcus granulosus	phd:f box containing protein	0.0059	0.0174	0.0169
Mycobacterium ulcerans	carboxylesterase, LipT	0.0438	0.1643	1
Brugia malayi	jmjC domain containing protein	0.0059	0.0174	0.0173
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0116	0.0111
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Schistosoma mansoni	hypothetical protein	0.0029	0.0054	0.0049
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0116	0.0111
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0054	0.0332
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0042	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0042	0.0042
Echinococcus multilocularis	geminin	0.0173	0.0614	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Brugia malayi	beta-lactamase	0.0037	0.0086	0.0085
Echinococcus granulosus	geminin	0.0173	0.0614	0.0609
Echinococcus granulosus	chromobox protein 1	0.0071	0.0219	0.0214
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.041	0.208
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0219	0.0662
Schistosoma mansoni	BC026374 protein (S09 family)	0.0438	0.1643	0.1638
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0022	0.0016
Brugia malayi	Carboxylesterase family protein	0.0438	0.1643	0.1642
Schistosoma mansoni	rab6-interacting	0.002	0.0022	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0098	0.0296
Loa Loa (eye worm)	carboxylesterase	0.259	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0059	0.0174	0.0169
Toxoplasma gondii	PHD-finger domain-containing protein	0.0087	0.0283	0.6542
Brugia malayi	jmjC domain containing protein	0.0059	0.0174	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Schistosoma mansoni	hypothetical protein	0.0034	0.0077	0.0072
Onchocerca volvulus		0.0037	0.0086	0.0239
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.005	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0002	0.0005
Echinococcus multilocularis	para nitrobenzyl esterase	0.0438	0.1643	0.1638
Schistosoma mansoni	phosphatidylserine receptor	0.0059	0.0174	0.0169
Echinococcus granulosus	lamin dm0	0.0027	0.005	0.0045
Schistosoma mansoni	acetylcholinesterase	0.0438	0.1643	0.1638
Echinococcus granulosus	peregrin	0.0087	0.0283	0.0278
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0086	0.0081
Loa Loa (eye worm)	hypothetical protein	0.004	0.0098	0.0097
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.0295	0.029
Loa Loa (eye worm)	acetylcholinesterase 1	0.259	1	1
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0029	0.0054	0.0925
Echinococcus multilocularis	neuroligin	0.0438	0.1643	0.1638
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0438	0.1643	0.1638
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0059	0.0174	0.5842
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0086	0.3315
Echinococcus granulosus	cpg binding protein	0.0029	0.0058	0.0053
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0018	0.0013	0.004
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0438	0.1643	0.1638
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0086	0.0081
Schistosoma mansoni	cpg binding protein	0.0029	0.0058	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Toxoplasma gondii	aldehyde dehydrogenase	0.012	0.041	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0867	0.3311	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0224	0.0814	0.0809
Echinococcus granulosus	JmjC domain containing protein 4	0.0059	0.0174	0.0169
Loa Loa (eye worm)	carboxylesterase	0.0438	0.1643	0.1642
Echinococcus multilocularis	peregrin	0.0087	0.0283	0.0278
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0061	0.018	0.0175
Echinococcus granulosus	BC026374 protein S09 family	0.0438	0.1643	0.1638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Brugia malayi	Bromodomain containing protein	0.0087	0.0283	0.0282
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0139	0.0138
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0186	0.0181
Echinococcus granulosus	acetylcholinesterase	0.259	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.041	0.0405
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0438	0.1643	0.4962
Echinococcus multilocularis	carboxylesterase 5A	0.259	1	1
Brugia malayi	Doublecortin family protein	0.002	0.0022	0.0021
Brugia malayi	Carboxylesterase family protein	0.0438	0.1643	0.1642
Schistosoma mansoni	intermediate filament proteins	0.0027	0.005	0.0045
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0219	0.0214
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0052	0.0051
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0077	0.0076
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0018	0.0013	0.004
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.005	0.005
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0018	0.0013	0.004
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0029	0.0054	0.0332
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.041	0.208
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.0295	0.029
Schistosoma mansoni	loxhd1	0.002	0.0022	0.0016
Echinococcus multilocularis	RUN	0.002	0.0022	0.0016
Echinococcus multilocularis	musashi	0.0027	0.005	0.0045
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0179	0.0637	0.2282
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0087	0.028	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Brugia malayi	chromobox protein homolog 3	0.004	0.0098	0.0097
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Echinococcus multilocularis	acetylcholinesterase	0.259	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0005	0.0005
Brugia malayi	Carboxylesterase family protein	0.259	1	1
Loa Loa (eye worm)	PHD-finger family protein	0.0087	0.0283	0.0282
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0086	0.0085
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0086	0.026
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0059	0.0174	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0086	0.0085
Brugia malayi	F/Y-rich N-terminus family protein	0.004	0.01	0.01
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0174	0.0173
Schistosoma mansoni	protein phosphatase 2C	0.0059	0.0174	0.0169
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0403	0.1508	0.1504
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0116	0.0111
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0224	0.0814	0.0809
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0867	0.3311	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0223	0.0808	0.0803
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0042	0.0792
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0219	0.0662
Plasmodium falciparum	phd finger protein, putative	0.0087	0.0283	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0224	0.0814	0.0809
Brugia malayi	Heterochromatin protein 1	0.0071	0.0219	0.0218
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0139	0.0138
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0059	0.0174	1
Brugia malayi	intermediate filament protein	0.0027	0.005	0.005
Schistosoma mansoni	polycystin 1-related	0.002	0.0022	0.0016
Loa Loa (eye worm)	hypothetical protein	0.005	0.0139	0.0138
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0061	0.1441
Toxoplasma gondii	ABC1 family protein	0.0037	0.0086	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0005	0.0005
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.1484	0.1479
Leishmania major	hypothetical protein, conserved	0.0037	0.0086	0.1189
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0022	0.0021
Echinococcus multilocularis	jumonji domain containing protein	0.0122	0.0416	0.041
Plasmodium vivax	SET domain protein, putative	0.0091	0.0295	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0295	0.0295
Brugia malayi	N-terminal motif family protein	0.0179	0.0637	0.0637
Loa Loa (eye worm)	jmjC domain-containing protein	0.018	0.0644	0.0643
Brugia malayi	SET domain containing protein	0.0016	0.0004	0.0003
Brugia malayi	beta-lactamase family protein	0.0037	0.0086	0.0085
Echinococcus granulosus	lamin	0.0027	0.005	0.0045
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0628	0.2383	0.2382
Loa Loa (eye worm)	hypothetical protein	0.259	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0102	0.0341	0.0335
Onchocerca volvulus		0.0031	0.0065	0.016
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0086	0.2351
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0059	0.0174	0.3588
Echinococcus granulosus	RUN	0.002	0.0022	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0065	0.0064
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0086	0.026
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0116	0.0111
Brugia malayi	hypothetical protein	0.0016	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0077	0.0076
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.012	0.041	0.0405
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0091	0.0295	0.029
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.0853	0.4928
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0098	0.0296
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0424	0.1588	0.9651
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.012	0.041	0.0405
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0086	0.0085
Trichomonas vaginalis	spcc417.12 protein, putative	0.0438	0.1643	0.4962
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.011	0.0327
Onchocerca volvulus		0.0027	0.005	0.0106
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0091	0.0295	0.029
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0438	0.1643	0.1638
Echinococcus multilocularis	lysine specific demethylase 6a	0.0059	0.0174	0.0169
Echinococcus granulosus	PHD finger protein rhinoceros	0.0087	0.0283	0.0278
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0424	0.1588	1
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0059	0.0174	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1643	0.1642
Schistosoma mansoni	gliotactin	0.0438	0.1643	0.1638
Brugia malayi	jmjC domain containing protein	0.0403	0.1508	0.1508
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0061	0.018	0.0175
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0283	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0174	0.0173
Onchocerca volvulus		0.0037	0.0086	0.0239
Echinococcus granulosus	carboxylesterase 5A	0.259	1	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0086	0.0085
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0021
Loa Loa (eye worm)	hypothetical protein	0.002	0.0022	0.0021
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0086	0.0081
Onchocerca volvulus	Alhambra homolog	0.0087	0.0283	0.0968
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0438	0.1643	0.1638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.012	0.041	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0219	0.0218
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0174	0.0173

Activities

Activity type	Activity value	Assay description	Source	Reference
Imax (functional)	= 79 %	Antagonist activity at human MCH1 receptor expressed in HEK cells assessed as inhibition of agonist induced maximal current response	ChEMBL.	17407817
Imax (functional)	= 79 %	Antagonist activity at human MCH1 receptor expressed in HEK cells assessed as inhibition of agonist induced maximal current response	ChEMBL.	17407817
Kb (functional)	= 4530 nM	Antagonist activity at human MCH1 receptor expressed in HEK cells after 45 mins by [35S]GTPgammaS binding assay	ChEMBL.	17407817
Kb (functional)	= 4530 nM	Antagonist activity at human MCH1 receptor expressed in HEK cells after 45 mins by [35S]GTPgammaS binding assay	ChEMBL.	17407817
Ki (binding)	= -5.23	Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells	ChEMBL.	17407817
Ki (binding)	= 5.23	Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells	ChEMBL.	20932767
Ki (binding)	= 1420 nM	Displacement of [125I]Iodoproxyfan from histamine H3 receptor	ChEMBL.	20932767
Ki (binding)	= 5860 nM	Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells	ChEMBL.	17407817
Ki (binding)	= 5860 nM	Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells	ChEMBL.	17407817
Ki (binding)	= 5860 nM	Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells	ChEMBL.	20932767
Log Ki (binding)	= 5.23	Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells	ChEMBL.	17407817
pKb (functional)	= 5.343	Antagonist activity at human MCH1 receptor expressed in HEK cells after 45 mins by [35S]GTPgammaS binding assay	ChEMBL.	17407817

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: CHEMBL241589

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 451839