TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 433.586 | Formula: C27H35N3O2
H donors: 0 H acceptors: 2 LogP: 3.03 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)N1CCc2c(CC1)ccc(c2)C(=O)CCCN1CCN(CC1)Cc1ccccc1
InChi: 1S/C27H35N3O2/c1-22(31)30-14-11-24-9-10-26(20-25(24)12-15-30)27(32)8-5-13-28-16-18-29(19-17-28)21-23-6-3-2-4-7-23/h2-4,6-7,9-10,20H,5,8,11-19,21H2,1H3
InChiKey: VQTCAOXIAPFHHQ-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

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 leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0088	0.2994	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0241	0.96	0.96
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0088	0.2994	0.3119
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0088	0.2994	0.5
Schistosoma mansoni	hypothetical protein	0.0122	0.4432	0.8394
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0241	0.96	1
Onchocerca volvulus		0.002	0	0.5
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0088	0.2994	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0	0.5
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0088	0.2994	0.6755
Toxoplasma gondii	methionine aminopeptidase	0.0088	0.2994	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0088	0.2994	0.5
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0088	0.2994	0.5
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0088	0.2994	0.5671
Toxoplasma gondii	methionine aminopeptidase	0.0088	0.2994	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0141	0.528	1
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.0088	0.2994	0.5
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0088	0.2994	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0	0.5
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0088	0.2994	0.5
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.0088	0.2994	0.5
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0088	0.2994	0.5
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0088	0.2994	0.5
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0088	0.2994	0.5
Mycobacterium ulcerans	methionine aminopeptidase	0.0088	0.2994	0.5
Brugia malayi	Methionine aminopeptidase protein type I	0.0088	0.2994	0.2994
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.4432	0.8394
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0088	0.2994	0.5
Chlamydia trachomatis	methionine aminopeptidase	0.0088	0.2994	0.5
Treponema pallidum	methionine aminopeptidase (map)	0.0088	0.2994	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0241	0.96	0.96
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.4432	1
Schistosoma mansoni	thyroid hormone receptor	0.0141	0.528	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.9552	0.995
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0088	0.2994	0.5
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0088	0.2994	0.5671
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0088	0.2994	0.5
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0088	0.2994	0.5671
Schistosoma mansoni	thyroid hormone receptor	0.0141	0.528	1
Onchocerca volvulus	Bile acid receptor homolog	0.002	0	0.5
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0088	0.2994	0.5
Trypanosoma brucei	methionine aminopeptidase, putative	0.0088	0.2994	0.5
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0088	0.2994	0.5671

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000 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: CHEMBL1914850

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 1566287