TDR Targets

Basic information

Technical information

TDR Targets ID: 1384575
Name: 4-[di(phenyl)methyl]-N-(3-methoxypropyl)piper azine-1-carbothioamide
MW: 383.55 | Formula: C22H29N3OS
H donors: 0 H acceptors: 0 LogP: 3.63 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCCCN=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)S
InChi: 1S/C22H29N3OS/c1-26-18-8-13-23-22(27)25-16-14-24(15-17-25)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3,(H,23,27)
InChiKey: AMVMGLVFFIKVCT-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

4-[di(phenyl)methyl]-N-(3-methoxypropyl)-1-piperazinecarbothioamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	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
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0065	0.0065
Mycobacterium ulcerans	L-asparagine permease AnsP1	0.0086	0.1304	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.018	0.018
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1891	0.1891
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Brugia malayi	hypothetical protein	0.0086	0.1304	0.1304
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.018	0.018
Brugia malayi	Amino acid permease family protein	0.0086	0.1304	0.1304
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0086	0.1304	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Echinococcus granulosus	solute carrier family 12	0.0607	1	1
Schistosoma mansoni	hypothetical protein	0.0019	0.018	0.018
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.018	0.018
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0086	0.1304	0.5
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Mycobacterium ulcerans	GabA permease GabP	0.0086	0.1304	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0065	0.0065
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0065	0.0065
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0065	0.0065
Onchocerca volvulus	Solute carrier family 12 member 9 homolog	0.0086	0.1304	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0065	0.0065
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0065	0.0065
Brugia malayi	ecdysteroid receptor	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Brugia malayi	nuclear hormone receptor	0.0012	0.0065	0.0065
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0867	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0065	0.0065
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0065	0.0065
Mycobacterium tuberculosis	Probable D-serine/alanine/glycine transporter protein CycA	0.0086	0.1304	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0065	0.0065
Brugia malayi	steroid hormone receptor	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0019	0.018	0.018
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1304	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.018	0.018
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1891	0.1891
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0065	0.0065
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0065	0.0065
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0065	0.0065
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP2 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0086	0.1304	0.5
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0065	0.0065
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0549	0.0549
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0065	0.0065
Trichomonas vaginalis	aromatic amino acid transporter, putative	0.0086	0.1304	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.018	0.018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0065	0.0065
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0065	0.0065
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1304	0.1304
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0065	0.0065
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0065	0.0065
Schistosoma mansoni	cation chloride cotransporter	0.0086	0.1304	0.1304
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0065	0.0065
Echinococcus granulosus	cation chloride cotransporter	0.0086	0.1304	0.1304
Loa Loa (eye worm)	amino acid permease	0.0607	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0065	0.0065
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0065	0.0065
Schistosoma mansoni	coup transcription factor	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Echinococcus granulosus	GPCR family 2	0.0019	0.018	0.018
Trichomonas vaginalis	gaba permease, putative	0.0086	0.1304	0.5
Brugia malayi	hypothetical protein	0.0086	0.1304	0.1304
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0065	0.0065
Schistosoma mansoni	solute carrier family 12 k-cl cotransporter	0.0086	0.1304	0.1304
Schistosoma mansoni	hypothetical protein	0.0019	0.018	0.018
Trichomonas vaginalis	lysine-specific permease, putative	0.0086	0.1304	0.5
Echinococcus multilocularis	GPCR, family 2	0.0019	0.018	0.018
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1304	0.1304
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0867	0.0867
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Brugia malayi	Amino acid permease family protein	0.0607	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0065	0.0065
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0065	0.0065
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP1 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0086	0.1304	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0065	0.0065
Brugia malayi	MH2 domain containing protein	0.0122	0.1891	0.1891
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0065	0.0065
Schistosoma mansoni	solute carrier family 12 electroneutral k-cl cotransporter	0.0607	1	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0521	0.8558	0.8558
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0867	0.0867
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0065	0.0065
Mycobacterium tuberculosis	Possible L-asparagine permease AnsP2 (L-asparagine transport protein)	0.0086	0.1304	0.5
Echinococcus multilocularis	cation chloride cotransporter	0.0086	0.1304	0.1304
Loa Loa (eye worm)	solute carrier family 12 member 1	0.0086	0.1304	0.1304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0065	0.0065
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0065	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.1304	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0065	0.0065
Onchocerca volvulus	Solute carrier family 12 member 8 homolog	0.0086	0.1304	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0065	0.0065
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0065	0.0065
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0065	0.0065
Schistosoma mansoni	hypothetical protein	0.0041	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0065	0.0065
Echinococcus multilocularis	solute carrier family 12	0.0607	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0065	0.0065
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0065	0.0065
Mycobacterium ulcerans	D-serine/D-alanine/glycine transporter, CycA	0.0086	0.1304	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0065	0.0065
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.018	0.018
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.018	0.018
Trichomonas vaginalis	amino acid permease, putative	0.0086	0.1304	0.5
Mycobacterium tuberculosis	Probable GABA permease GabP (4-amino butyrate transport carrier) (GAMA-aminobutyrate permease)	0.0086	0.1304	0.5
Brugia malayi	solute carrier family 12 member 1	0.0086	0.1304	0.1304
Schistosoma mansoni	hypothetical protein	0.0019	0.018	0.018

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1535997

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 1384575