TDR Targets

Basic information

Technical information

TDR Targets ID: 1580022
Name: 1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(3-met hyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)buta ne-1,4-dione
MW: 438.99 | Formula: C26H31ClN2O2
H donors: 0 H acceptors: 2 LogP: 4.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCc2c(CC1)ccc(c2)C(=O)CCC(=O)N1CCC(CC1)c1ccc(cc1)Cl
InChi: 1S/C26H31ClN2O2/c1-28-14-10-20-2-3-23(18-22(20)11-15-28)25(30)8-9-26(31)29-16-12-21(13-17-29)19-4-6-24(27)7-5-19/h2-7,18,21H,8-17H2,1H3
InChiKey: PMJDLGXCYJSEDH-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-[4-(4-chlorophenyl)-1-piperidyl]-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)butane-1,4-dione
1-[4-(4-chlorophenyl)-1-piperidinyl]-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)butane-1,4-dione

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
Echinococcus multilocularis	Mastin	0.023	0.0749	0.3596
Echinococcus multilocularis	tissue type plasminogen activator	0.0492	0.1999	1
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Toxoplasma gondii	microneme protein MIC4	0.0102	0.0137	0.0035
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Echinococcus granulosus	tissue type plasminogen activator	0.0492	0.1999	1
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Onchocerca volvulus		0.0175	0.0488	0.0398
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.023	0.0749	0.3596
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Trypanosoma brucei	Polypeptide deformylase 1	0.035	0.1322	0.5
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0918	0.4029	1
Toxoplasma gondii	kringle domain-containing protein	0.0492	0.1999	0.4803
Onchocerca volvulus		0.023	0.0749	0.067
Loa Loa (eye worm)	hypothetical protein	0.2115	0.9737	1
Echinococcus granulosus	Mastin	0.023	0.0749	0.3596
Loa Loa (eye worm)	DOMON domain-containing protein	0.0149	0.0365	0.0375
Brugia malayi	hypothetical protein	0.023	0.0749	0.067
Onchocerca volvulus		0.0102	0.0137	0.0034
Loa Loa (eye worm)	hypothetical protein	0.023	0.0749	0.0769
Schistosoma mansoni	hypothetical protein	0.0149	0.0365	0.0261
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Brugia malayi	Protein kinase domain containing protein	0.0492	0.1999	0.1967
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0237	0.0243
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.023	0.0749	0.0649
Loa Loa (eye worm)	hypothetical protein	0.2115	0.9737	1
Onchocerca volvulus		0.023	0.0749	0.067
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.2115	0.9737	0.9735
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0918	0.4029	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Brugia malayi	Trypsin family protein	0.2115	0.9737	1
Toxoplasma gondii	microneme protein, putative	0.0102	0.0137	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Onchocerca volvulus		0.0102	0.0137	0.0034
Mycobacterium ulcerans	peptide deformylase	0.0918	0.4029	1
Schistosoma mansoni	hypothetical protein	0.0492	0.1999	0.1913
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.023	0.0749	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0102	0.0137	0.0035
Onchocerca volvulus		0.0102	0.0137	0.0034
Loa Loa (eye worm)	PAN domain-containing protein	0.0102	0.0137	0.014
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Toxoplasma gondii	hypothetical protein	0.0102	0.0137	0.0035
Echinococcus granulosus	enteropeptidase	0.023	0.0749	0.3596
Loa Loa (eye worm)	PAN domain-containing protein	0.0102	0.0137	0.014
Onchocerca volvulus		0.0149	0.0365	0.0271
Loa Loa (eye worm)	hypothetical protein	0.023	0.0749	0.0769
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.023	0.0749	0.0649
Brugia malayi	Trypsin family protein	0.023	0.0749	0.067
Onchocerca volvulus		0.023	0.0749	0.067
Brugia malayi	Kringle domain containing protein	0.0492	0.1999	0.1967
Schistosoma mansoni	hypothetical protein	0.023	0.0749	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0107	0.011
Loa Loa (eye worm)	hypothetical protein	0.0492	0.1999	0.2053
Onchocerca volvulus		0.023	0.0749	0.067
Loa Loa (eye worm)	hypothetical protein	0.023	0.0749	0.0769
Onchocerca volvulus		0.2115	0.9737	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.023	0.0749	0.067
Echinococcus granulosus	transmembrane protease serine 3	0.023	0.0749	0.3596
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0099	0.0123	0.0016
Onchocerca volvulus		0.0492	0.1999	0.1967
Trypanosoma cruzi	hypothetical protein, conserved	0.0492	0.1999	1
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0102	0.0137	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Onchocerca volvulus		0.1885	0.8641	0.8861
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Echinococcus granulosus	endothelin converting enzyme 1	0.0099	0.0123	0.0388
Toxoplasma gondii	hypothetical protein	0.0102	0.0137	0.0035
Brugia malayi	Trypsin family protein	0.023	0.0749	0.067
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Brugia malayi	Trypsin-like protease protein 5	0.023	0.0749	0.067
Loa Loa (eye worm)	hypothetical protein	0.023	0.0749	0.0769
Onchocerca volvulus		0.0102	0.0137	0.0034
Loa Loa (eye worm)	TK/ROR protein kinase	0.0492	0.1999	0.2053
Toxoplasma gondii	hypothetical protein	0.0918	0.4029	1
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Echinococcus multilocularis	endothelin converting enzyme 1	0.0099	0.0123	0.0388
Echinococcus multilocularis	transmembrane protease serine 3	0.023	0.0749	0.3596
Onchocerca volvulus		0.0149	0.0365	0.0271
Echinococcus granulosus	glycoprotein Antigen 5	0.023	0.0749	0.3596
Echinococcus multilocularis	Tolloid protein 1	0.0095	0.0107	0.0306
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Echinococcus multilocularis	glycoprotein Antigen 5	0.023	0.0749	0.3596
Loa Loa (eye worm)	hypothetical protein	0.023	0.0749	0.0769
Brugia malayi	Trypsin family protein	0.023	0.0749	0.067
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.023	0.0749	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0123	0.0126
Onchocerca volvulus		0.0102	0.0137	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0488	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0104	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Loa Loa (eye worm)	PAN domain-containing protein	0.0102	0.0137	0.014
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Onchocerca volvulus		0.0102	0.0137	0.0034
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0099	0.0123	0.002
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Brugia malayi	Peptidase family M13 containing protein	0.0099	0.0123	0.002
Loa Loa (eye worm)	trypsin family protein	0.023	0.0749	0.0769
Schistosoma mansoni	cercarial elastase (S01 family)	0.023	0.0749	0.0649
Plasmodium vivax	peptide deformylase, putative	0.0918	0.4029	1
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Echinococcus multilocularis	enteropeptidase	0.023	0.0749	0.3596
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Onchocerca volvulus		0.0102	0.0137	0.0034
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0258	0.0882	0.0783
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.023	0.0749	0.3596
Onchocerca volvulus		0.0102	0.0137	0.0034
Leishmania major	hypothetical protein, conserved	0.0492	0.1999	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0102	0.0137	0.014
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0918	0.4029	0.5
Toxoplasma gondii	microneme protein MIC17B	0.0102	0.0137	0.0035
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Brugia malayi	SEA domain containing protein	0.0149	0.0365	0.0271
Chlamydia trachomatis	peptide deformylase	0.0918	0.4029	0.5
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Onchocerca volvulus		0.0149	0.0365	0.0271
Onchocerca volvulus		0.023	0.0749	0.067
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0123	0.0126
Onchocerca volvulus		0.0102	0.0137	0.0034
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.023	0.0749	0.0649
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0095	0.0104	0.0107
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.023	0.0749	0.3596
Toxoplasma gondii	PAN domain-containing protein	0.0102	0.0137	0.0035
Brugia malayi	PAN domain containing protein	0.0102	0.0137	0.0034
Loa Loa (eye worm)	PAN domain-containing protein	0.0102	0.0137	0.014
Treponema pallidum	polypeptide deformylase (def)	0.0918	0.4029	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0008	0.0008
Toxoplasma gondii	subtilisin SUB12	0.0102	0.0137	0.0035
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0095	0.0107	0.011
Onchocerca volvulus		0.0102	0.0137	0.0034
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.023	0.0749	0.3596
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0123	0.0126
Toxoplasma gondii	microneme protein MIC17C	0.0102	0.0137	0.0035
Mycobacterium ulcerans	hypothetical protein	0.023	0.0749	0.1603
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0365	0.0375
Echinococcus granulosus	Tolloid protein 1	0.0095	0.0107	0.0306
Trypanosoma brucei	Peptide deformylase 2	0.035	0.1322	0.5
Brugia malayi	Muscle positioning protein 4	0.0175	0.0488	0.0398
Onchocerca volvulus		0.0102	0.0137	0.0034
Onchocerca volvulus		0.0149	0.0365	0.0271
Toxoplasma gondii	microneme protein MIC17A	0.0102	0.0137	0.0035
Plasmodium falciparum	peptide deformylase	0.0918	0.4029	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0137	0.014
Schistosoma mansoni	hypothetical protein	0.023	0.0749	0.0649

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)	= 30 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: CHEMBL1914859

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 1580022