TDR Targets

Basic information

Technical information

TDR Targets ID: 1578399
Name: 1-[8-[3-[4-(4-chlorophenyl)piperidin-1-yl]pro poxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]et hanone
MW: 441.005 | Formula: C26H33ClN2O2
H donors: 0 H acceptors: 1 LogP: 4.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C1CCN(CC1)CCCOc1ccc2c(c1)CCN(CC2)C(=O)C
InChi: 1S/C26H33ClN2O2/c1-20(30)29-16-11-22-5-8-26(19-24(22)12-17-29)31-18-2-13-28-14-9-23(10-15-28)21-3-6-25(27)7-4-21/h3-8,19,23H,2,9-18H2,1H3
InChiKey: KTYTYSRNCBIVNY-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

1-[8-[3-[4-(4-chlorophenyl)-1-piperidyl]propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
1-[8-[3-[4-(4-chlorophenyl)-1-piperidinyl]propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	melanin-concentrating hormone receptor 1	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
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.2963	0.4774
Echinococcus multilocularis	cpg binding protein	0.003	0.1157	0.1527
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1527	0.5
Mycobacterium ulcerans	beta-lactamase	0.0035	0.1412	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.092	0.0178
Loa Loa (eye worm)	acetyltransferase	0.014	0.6155	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.092	0.0178
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1412	0.8288
Onchocerca volvulus		0.0035	0.1412	1
Loa Loa (eye worm)	quiescin Q6	0.0022	0.0826	0.1276
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1835	0.246
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.014	0.6155	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.1412	0.1878
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.1682	0.1607
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.1412	0.5
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.1682	0.2731
Onchocerca volvulus		0.0028	0.1085	0.4415
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.6155	0.841
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0046	0.0063
Schistosoma mansoni	hypothetical protein	0.0166	0.7319	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1085	0.17
Toxoplasma gondii	Erv1 / Alr family protein	0.014	0.6155	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0826	0.1276
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.5978	0.8156
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.2963	0.4774
Trichomonas vaginalis	esterase, putative	0.0035	0.1412	0.8288
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0133	0.012
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.6155	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.2504	0.3421
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2963	0.4048
Brugia malayi	Augmenter of liver regeneration	0.014	0.6155	0.9999
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.1682	0.225
Loa Loa (eye worm)	beta-lactamase	0.0035	0.1412	0.2236
Schistosoma mansoni	cpg binding protein	0.003	0.1157	0.1581
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.1412	0.5
Brugia malayi	beta-lactamase family protein	0.0035	0.1412	0.2236
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1412	0.8288
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.092	0.1494
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.021	0.0269
Brugia malayi	quiescin Q6	0.0022	0.0826	0.1276
Brugia malayi	TAR-binding protein	0.0069	0.2963	0.4774
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.014	0.6155	1
Brugia malayi	beta-lactamase family protein	0.0035	0.1412	0.2236
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.1682	1
Echinococcus granulosus	sulfhydryl oxidase 1	0.0022	0.0826	0.1072
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1835	0.2929
Brugia malayi	beta-lactamase	0.0035	0.1412	0.2236
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0205	0.0261
Echinococcus granulosus	tar DNA binding protein	0.0069	0.2963	0.4011
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.014	0.6155	1
Brugia malayi	hypothetical protein	0.0024	0.092	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.014	0.6155	0.84
Schistosoma mansoni	zinc finger protein	0.0005	0.0046	0.0063
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.092	0.0178
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0133	0.012
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1412	0.11
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0826	0.1276
Mycobacterium ulcerans	lipase LipD	0.0035	0.1412	0.5
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.1682	1
Loa Loa (eye worm)	Erv1/Alr family protein	0.0022	0.0826	0.1276
Loa Loa (eye worm)	hepatopoietin HPO2	0.014	0.6155	0.9999
Toxoplasma gondii	ABC1 family protein	0.0035	0.1412	0.11
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1412	0.11
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.6155	0.84
Onchocerca volvulus		0.0035	0.1412	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.092	0.1432
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.1412	0.2236
Leishmania major	hypothetical protein, conserved	0.0035	0.1412	0.0939
Loa Loa (eye worm)	RNA binding protein	0.0069	0.2963	0.4774
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.2372	0.2902
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1835	0.246
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.1412	0.2236
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.021	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1412	0.1929
Brugia malayi	hypothetical protein	0.0016	0.053	0.0792
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.014	0.6155	0.84
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0046	0.0063
Schistosoma mansoni	hypothetical protein	0.0166	0.7319	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.014	0.6155	1
Brugia malayi	Erv1 / Alr family protein	0.0022	0.0826	0.1276
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1835	0.246
Echinococcus granulosus	cpg binding protein	0.003	0.1157	0.1527
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2963	0.4048
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0133	0.0182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1835	0.246
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.014	0.6155	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.092	0.0178
Leishmania major	hypothetical protein, conserved	0.014	0.6155	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0313	0.0367
Mycobacterium ulcerans	hypothetical protein	0.0035	0.1412	0.5
Mycobacterium leprae	Probable lipase LipE	0.0035	0.1412	0.5
Echinococcus multilocularis	geminin	0.0166	0.7319	1
Echinococcus granulosus	geminin	0.0166	0.7319	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2963	0.4048
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2963	0.4048
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1412	0.1929
Toxoplasma gondii	Erv1 / Alr family protein	0.014	0.6155	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1527	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.2963	0.4774
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1412	0.8288
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.092	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1412	0.2236
Schistosoma mansoni	quiescin q6-related sulfhydryl oxidase	0.0022	0.0826	0.1128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1835	0.2507
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0133	0.012
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.021	0.0226
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.1682	0.1607
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.014	0.6155	1
Plasmodium vivax	hypothetical protein, conserved	0.0022	0.0826	0.134
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.1412	0.2293
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0133	0.012
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.092	0.0178
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1412	0.11
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1412	0.8288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1835	0.2507
Onchocerca volvulus		0.0035	0.1412	1
Schistosoma mansoni	cpg binding protein	0.0028	0.1085	0.1482
Schistosoma mansoni	cpg binding protein	0.003	0.1157	0.1581
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1527	0.1315
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1835	0.2507
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1835	0.2929
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.1412	0.1878
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.2963	0.4048
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1412	0.8288
Schistosoma mansoni	hypothetical protein	0.0011	0.0313	0.0427
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.2963	0.4011
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.1412	0.5
Brugia malayi	RNA binding protein	0.0069	0.2963	0.4774
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1085	0.17
Echinococcus multilocularis	sulfhydryl oxidase 1	0.0022	0.0826	0.1072
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0313	0.0367

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)		Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated arachidonic acid release	ChEMBL.	21975069
IC50 (binding)	= 100 nM	Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells	ChEMBL.	21975069

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: CHEMBL1914860

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1578399