TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 586.761 | Formula: C36H46N2O5
H donors: 2 H acceptors: 0 LogP: 5.58 Rotable bonds: 18
Rule of 5 violations (Lipinski): 2
SMILES: NCCCCCCOCC1OC(OCCc2cc3c([nH]2)cccc3)C(CC1OCc1ccccc1)OCc1ccccc1
InChi: 1S/C36H46N2O5/c37-20-11-1-2-12-21-39-27-35-33(41-25-28-13-5-3-6-14-28)24-34(42-26-29-15-7-4-8-16-29)36(43-35)40-22-19-31-23-30-17-9-10-18-32(30)38-31/h3-10,13-18,23,33-36,38H,1-2,11-12,19-22,24-27,37H2
InChiKey: NUSBIXNTTSIGSA-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	somatostatin 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	somatostatin receptor 1	391 aa	368 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Brugia malayi	Carboxylesterase family protein	0.008	0.1373	0.0962
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.032	0.6613	0.6452
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Brugia malayi	Carboxylesterase family protein	0.008	0.1373	0.0962
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.008	0.1373	0.159
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.0038	0.0454	0.0687
Plasmodium falciparum	methionine aminopeptidase 1c, putative	0.0038	0.0454	0.0687
Echinococcus multilocularis	BC026374 protein (S09 family)	0.008	0.1373	0.0962
Entamoeba histolytica	hypothetical protein, conserved	0.0038	0.0454	0.5
Toxoplasma gondii	methionine aminopeptidase	0.0302	0.6231	0.9423
Trypanosoma cruzi	aminopeptidase P1, putative	0.0038	0.0454	0.0687
Trichomonas vaginalis	spcc417.12 protein, putative	0.008	0.1373	1
Echinococcus granulosus	para nitrobenzyl esterase	0.008	0.1373	0.0962
Echinococcus multilocularis	acetylcholinesterase	0.0475	1	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.032	0.6613	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.008	0.1373	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0475	1	1
Toxoplasma gondii	creatinase domain-containing protein	0.0038	0.0454	0.0687
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.032	0.6613	1
Onchocerca volvulus		0.008	0.1373	1
Schistosoma mansoni	gliotactin	0.008	0.1373	0.0962
Echinococcus granulosus	BC026374 protein S09 family	0.008	0.1373	0.0962
Entamoeba histolytica	methionine aminopeptidase, putative	0.0038	0.0454	0.5
Plasmodium vivax	proliferation-associated protein 2g4, putative	0.0038	0.0454	0.0687
Brugia malayi	Carboxylesterase family protein	0.008	0.1373	0.0962
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0302	0.6231	0.9423
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Plasmodium falciparum	proliferation-associated protein 2g4, putative	0.0038	0.0454	0.0687
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0302	0.6231	1
Plasmodium falciparum	methionine aminopeptidase 2	0.0038	0.0454	0.0687
Plasmodium vivax	methionine aminopeptidase 1c, putative	0.0038	0.0454	0.0687
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0475	1	1
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.0038	0.0454	0.0687
Echinococcus granulosus	acetylcholinesterase	0.0475	1	1
Plasmodium vivax	peptidase, putative	0.0038	0.0454	0.0687
Onchocerca volvulus		0.008	0.1373	1
Leishmania major	transcription factor-like protein	0.0038	0.0454	0.0687
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0038	0.0454	0.0687
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0302	0.6231	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.032	0.6613	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0475	1	1
Toxoplasma gondii	proliferation-associated protein 2G4, putative	0.0038	0.0454	0.0687
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Leishmania major	hypothetical protein, conserved	0.0038	0.0454	0.0687
Toxoplasma gondii	peptidase D, putative	0.0038	0.0454	0.0687
Loa Loa (eye worm)	carboxylesterase	0.008	0.1373	0.0962
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0038	0.0454	0.0687
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.032	0.6613	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.008	0.1373	0.159
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2168	0.1796
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Echinococcus granulosus	acetylcholinesterase	0.0475	1	1
Trypanosoma brucei	methionine aminopeptidase, putative	0.032	0.6613	1
Chlamydia trachomatis	methionine aminopeptidase	0.0302	0.6231	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Echinococcus multilocularis	carboxylesterase 5A	0.0475	1	1
Leishmania major	aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Trypanosoma cruzi	aminopeptidase P, putative	0.0038	0.0454	0.0687
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.032	0.6613	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.032	0.6613	0.6452
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Plasmodium falciparum	FACT complex subunit SPT16, putative	0.0038	0.0454	0.0687
Brugia malayi	Carboxylesterase family protein	0.008	0.1373	0.0962
Brugia malayi	hypothetical protein	0.008	0.1373	0.0962
Echinococcus multilocularis	acetylcholinesterase	0.0475	1	1
Loa Loa (eye worm)	carboxylesterase	0.0475	1	1
Schistosoma mansoni	acetylcholinesterase	0.008	0.1373	0.0962
Mycobacterium ulcerans	methionine aminopeptidase	0.0302	0.6231	1
Loa Loa (eye worm)	methionine aminopeptidase type I	0.032	0.6613	0.6452
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0038	0.0454	0.0687
Schistosoma mansoni	BC026374 protein (S09 family)	0.008	0.1373	0.0962
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.0302	0.6231	0.9423
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0302	0.6231	1
Echinococcus granulosus	carboxylesterase 5A	0.0475	1	1
Trypanosoma brucei	Facilitates chromatin transcription complex subunit spt16	0.0038	0.0454	0.0687
Giardia lamblia	Xaa-Pro dipeptidase	0.0038	0.0454	0.5
Echinococcus multilocularis	neuroligin	0.008	0.1373	0.0962
Mycobacterium ulcerans	carboxylesterase, LipT	0.008	0.1373	0.159
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.008	0.1373	1
Onchocerca volvulus		0.008	0.1373	1
Onchocerca volvulus		0.008	0.1373	1
Plasmodium vivax	methionine aminopeptidase 2, putative	0.0038	0.0454	0.0687
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0302	0.6231	0.6052
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0038	0.0454	0.0687
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0302	0.6231	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Echinococcus multilocularis	para nitrobenzyl esterase	0.008	0.1373	0.0962
Schistosoma mansoni	neuroligin 3 (S09 family)	0.008	0.1373	0.0962
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Toxoplasma gondii	methionine aminopeptidase	0.032	0.6613	1
Trypanosoma brucei	Metallopeptidase family M24, putative	0.0038	0.0454	0.0687
Loa Loa (eye worm)	carboxylesterase	0.008	0.1373	0.0962
Onchocerca volvulus		0.008	0.1373	1
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Toxoplasma gondii	transcriptional elongation factor FACT140	0.0038	0.0454	0.0687
Echinococcus granulosus	neuroligin	0.008	0.1373	0.0962
Brugia malayi	Methionine aminopeptidase protein type I	0.032	0.6613	0.6452
Brugia malayi	Carboxylesterase family protein	0.0475	1	1
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Entamoeba histolytica	aminopeptidase, putative	0.0038	0.0454	0.5
Brugia malayi	MH2 domain containing protein	0.0117	0.2168	0.1796
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687
Entamoeba histolytica	Xaa-Pro dipeptidase, putative	0.0038	0.0454	0.5
Giardia lamblia	Xaa-Pro dipeptidase	0.0038	0.0454	0.5
Entamoeba histolytica	peptidase, putative	0.0038	0.0454	0.5
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.0302	0.6231	0.9423
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2168	0.1796
Leishmania major	methionine aminopeptidase 2, putative	0.0038	0.0454	0.0687
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.032	0.6613	1
Trypanosoma brucei	Xaa-Pro aminopeptidase, putative	0.0038	0.0454	0.0687
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.008	0.1373	0.0962
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.008	0.1373	0.159
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.008	0.1373	0.0962
Treponema pallidum	methionine aminopeptidase (map)	0.0302	0.6231	1
Plasmodium vivax	FACT complex subunit SPT16, putative	0.0038	0.0454	0.0687
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.032	0.6613	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.008	0.1373	0.0962
Giardia lamblia	Methionine aminopeptidase	0.0038	0.0454	0.5
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0302	0.6231	0.6052
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0302	0.6231	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.008	0.1373	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0475	1	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0302	0.6231	1
Trypanosoma cruzi	Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative	0.0038	0.0454	0.0687
Plasmodium falciparum	aminopeptidase P	0.0038	0.0454	0.0687
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0302	0.6231	0.6052
Loa Loa (eye worm)	hypothetical protein	0.008	0.1373	0.0962
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0038	0.0454	0.0687

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.6 uM	Binding affinity for SRIF (somatostatin) receptor	ChEMBL.	16134928
IC50 (binding)	= 6.6 uM	Binding affinity for SRIF (somatostatin) receptor	ChEMBL.	16134928

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

No external resources registered for this compound

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 341822