TDR Targets

Basic information

Technical information

TDR Targets ID: 1484305
Name: N-(3-methoxypropyl)-1-[[1-[(2-methylphenyl)me thyl]indol-2-yl]methyl]piperidine-4-carboxami de
MW: 433.586 | Formula: C27H35N3O2
H donors: 1 H acceptors: 1 LogP: 3.81 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)C1CCN(CC1)Cc1cc2c(n1Cc1ccccc1C)cccc2
InChi: 1S/C27H35N3O2/c1-21-8-3-4-10-24(21)19-30-25(18-23-9-5-6-11-26(23)30)20-29-15-12-22(13-16-29)27(31)28-14-7-17-32-2/h3-6,8-11,18,22H,7,12-17,19-20H2,1-2H3,(H,28,31)
InChiKey: HXUJMPUOYMULSA-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

N-(3-methoxypropyl)-1-[[1-[(2-methylphenyl)methyl]-2-indolyl]methyl]-4-piperidinecarboxamide
N-(3-methoxypropyl)-1-[[1-(2-methylbenzyl)indol-2-yl]methyl]isonipecotamide
G907-0696
NCGC00137658-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No 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
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0177	1	1
Echinococcus multilocularis	cathepsin b	0.0177	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0074	0.2416	0.3182
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.1244	0.1244
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.4927	0.4207
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.4927	1
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.4927	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2416	0.2416
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Loa Loa (eye worm)	cathepsin B	0.0071	0.2217	0.2217
Echinococcus granulosus	cathepsin b	0.0177	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Echinococcus multilocularis	cathepsin b	0.0177	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0108	0.4927	0.4207
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0108	0.4927	0.4927
Brugia malayi	Cathepsin L-like precursor	0.0074	0.2416	0.2416
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.4927	1
Echinococcus multilocularis	cysteine protease	0.0108	0.4927	0.4207
Onchocerca volvulus		0.0108	0.4927	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0108	0.4927	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1397	0.1397
Loa Loa (eye worm)	ctsf protein	0.0108	0.4927	0.4927
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0071	0.2217	0.2642
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Plasmodium vivax	vivapain-2	0.0108	0.4927	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.1244	0.1244
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Brugia malayi	Papain family cysteine protease containing protein	0.0108	0.4927	0.4927
Onchocerca volvulus		0.0108	0.4927	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.4927	0.4207
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Onchocerca volvulus		0.0108	0.4927	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.4927	0.4927
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Entamoeba histolytica	cysteine protease, putative	0.0108	0.4927	1
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0071	0.2217	0.1112
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.4927	0.4207
Toxoplasma gondii	cathepsin CPL	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Giardia lamblia	Cathepsin B precursor	0.0071	0.2217	0.5
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0071	0.2217	0.2642
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2416	0.2416
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Brugia malayi	cathepsin L-like precursor	0.0074	0.2416	0.2416
Onchocerca volvulus		0.0108	0.4927	1
Loa Loa (eye worm)	cysteine protease	0.0108	0.4927	0.4927
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1397	0.1397
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.1244	0.1244
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Giardia lamblia	Cathepsin B precursor	0.0071	0.2217	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.4927	0.4927
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0177	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Loa Loa (eye worm)	hypothetical protein	0.0177	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0108	0.4927	0.4927
Plasmodium vivax	vivapain-2	0.0108	0.4927	1
Echinococcus granulosus	cathepsin b	0.0177	1	1
Giardia lamblia	Cathepsin B precursor	0.0071	0.2217	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.4927	1
Echinococcus granulosus	cathepsin l1	0.0108	0.4927	0.4207
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.4927	0.4927
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1244	0.1244
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Brugia malayi	Cathepsin L-like precursor	0.0074	0.2416	0.2416
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.4927	0.4207
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	1	1
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0074	0.2416	0.1339
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0074	0.2416	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Onchocerca volvulus	Cathepsin F homolog	0.0108	0.4927	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.4927	0.4927
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.4927	0.4207
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0074	0.2416	0.2416
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Echinococcus granulosus	cathepsin l1	0.0074	0.2416	0.1339
Leishmania major	cysteine peptidase A (CPA)	0.0108	0.4927	1
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1244	0.1244
Trypanosoma cruzi	cruzipain precursor, putative	0.0108	0.4927	0.4207
Schistosoma mansoni	cathepsin F (C01 family)	0.0074	0.2416	0.2416
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.4927	0.4207
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.2217	0.2217
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Leishmania major	cathepsin L-like protease	0.0108	0.4927	1
Echinococcus multilocularis	cysteine protease	0.0108	0.4927	0.4207
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Loa Loa (eye worm)	fibroinase	0.0108	0.4927	0.4927
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.4927	0.4207
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.4927	0.4207
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2416	0.2416
Onchocerca volvulus		0.0108	0.4927	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1397	0.1397
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.4927	1
Entamoeba histolytica	cysteine proteinase, putative	0.0074	0.2416	0.3182
Onchocerca volvulus		0.0108	0.4927	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1397	0.1397
Onchocerca volvulus		0.0108	0.4927	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.4927	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0108	0.4927	0.4207

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.2387 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

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: CHEMBL1726610

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1484305