TDR Targets

Basic information

Technical information

TDR Targets ID: 1381116
Name: 1-di(phenyl)phosphoryl-N,N-diethylcyclobutane -1-carboxamide
MW: 355.41 | Formula: C21H26NO2P
H donors: 0 H acceptors: 2 LogP: 3.46 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1(CCC1)P(=O)(c1ccccc1)c1ccccc1)CC
InChi: 1S/C21H26NO2P/c1-3-22(4-2)20(23)21(16-11-17-21)25(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,3-4,11,16-17H2,1-2H3
InChiKey: MGWNSTPKSZCDFT-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-di(phenyl)phosphoryl-N,N-diethyl-cyclobutane-1-carboxamide
1-di(phenyl)phosphoryl-N,N-diethyl-1-cyclobutanecarboxamide
AG-389/32150039
1-(Diphenyl-phosphinoyl)-cyclobutanecarboxylic acid diethylamide
MLS001049269
SMR000427641
STOCK1S-87036
Oprea1_405819

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	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
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0207	0.2502	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0298	0.1192
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0002	0.0002
Loa Loa (eye worm)	acetyltransferase	0.0161	0.1875	0.4357
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0298	0.0298
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0207	0.2502	0.5816
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0207	0.2502	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0222	0.0517
Schistosoma mansoni	hypothetical protein	0.0038	0.0222	0.0222
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Trypanosoma cruzi	DNA polymerase eta, putative	0.005	0.0382	0.1688
Brugia malayi	Phosphoglycerate kinase	0.0189	0.2251	0.8996
Echinococcus multilocularis	expressed protein	0.0414	0.5278	0.5278
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0189	0.2251	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0002	0.0008
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0189	0.2251	0.8996
Schistosoma mansoni	hypothetical protein	0.0341	0.4302	0.4302
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0063	0.0251
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0002	0.0002
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0002	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0574	0.2542
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0002	0.0002
Echinococcus multilocularis	microtubule associated protein 2	0.0765	1	1
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0189	0.2251	1
Echinococcus multilocularis	neuropeptide s receptor	0.0513	0.6607	0.6607
Echinococcus granulosus	neuropeptide s receptor	0.0513	0.6607	0.6607
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0189	0.2251	1
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0002	0.0002
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0207	0.2502	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0298	0.1192
Leishmania major	DNA polymerase eta, putative	0.0035	0.0183	0.0806
Chlamydia trachomatis	phosphoglycerate kinase	0.0189	0.2251	0.5
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0144	0.0632
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0002	0.0004
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0161	0.1875	0.1875
Echinococcus granulosus	snurportin 1	0.0341	0.4302	0.4302
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0207	0.2502	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0382	0.0887
Echinococcus multilocularis	geminin	0.0188	0.224	0.224
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.035	0.035
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0189	0.2251	1
Schistosoma mansoni	phosphoglycerate kinase	0.0189	0.2251	0.2251
Trypanosoma brucei	phosphoglycerate kinase	0.0189	0.2251	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0298	0.0298
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0457	0.1828
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0189	0.2251	0.5
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0063	0.0251
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0002	0.0008
Echinococcus multilocularis	dna polymerase eta	0.005	0.0382	0.0382
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0297	0.1186
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0207	0.2502	1
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0189	0.2251	0.8996
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0457	0.1063
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0207	0.2502	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.0183	0.0806
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0574	0.2293
Plasmodium vivax	phosphoglycerate kinase, putative	0.0189	0.2251	1
Trypanosoma brucei	phosphoglycerate kinase	0.0069	0.0645	0.2861
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0189	0.2251	0.2251
Plasmodium falciparum	phosphoglycerate kinase	0.0189	0.2251	1
Brugia malayi	Phosphoglycerate kinase	0.0069	0.0645	0.258
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0207	0.2502	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.035	0.1397
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0222	0.0888
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0207	0.2502	1
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0144	0.0144
Schistosoma mansoni	hypothetical protein	0.0188	0.224	0.224
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0161	0.1875	0.1875
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0207	0.2502	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0298	0.1192
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0189	0.2251	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0063	0.0251
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0002	0.0008
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0002	0.0008
Entamoeba histolytica	hypothetical protein	0.0043	0.0298	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0144	0.0335
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0143	0.1643	0.7296
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0457	0.1828
Brugia malayi	hypothetical protein	0.0043	0.0298	0.1192
Schistosoma mansoni	hypothetical protein	0.0188	0.224	0.224
Echinococcus granulosus	phosphoglycerate kinase 1	0.0189	0.2251	0.2251
Echinococcus multilocularis	snurportin 1	0.0341	0.4302	0.4302
Entamoeba histolytica	hypothetical protein	0.0026	0.0063	0.0251
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0574	0.2542
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0574	0.2293
Brugia malayi	Importin beta-1 subunit	0.0032	0.0144	0.0576
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0574	0.2542
Giardia lamblia	Phosphoglycerate kinase	0.0189	0.2251	0.8995
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0298	0.0298
Leishmania major	hypothetical protein, conserved	0.0064	0.0574	0.2542
Schistosoma mansoni	microtubule-associated protein tau	0.0765	1	1
Trypanosoma brucei	DNA polymerase eta, putative	0.005	0.0382	0.1688
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0002	0.0002
Onchocerca volvulus		0.0207	0.2502	0.5
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0189	0.2251	1
Echinococcus granulosus	expressed protein	0.0414	0.5278	0.5278
Leishmania major	DNA polymerase eta, putative	0.005	0.0382	0.1688
Brugia malayi	ImpB/MucB/SamB family protein	0.005	0.0382	0.1525
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0189	0.2251	0.5
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0144	0.0144
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.035	0.0975
Echinococcus granulosus	geminin	0.0188	0.224	0.224
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0144	0.0632
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0207	0.2502	1
Echinococcus granulosus	dna polymerase eta	0.005	0.0382	0.0382
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.035	0.0975
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.0183	0.0186
Schistosoma mansoni	DNA polymerase eta	0.005	0.0382	0.0382
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0063	0.0271
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0297	0.0724
Brugia malayi	RNA, U transporter 1	0.0091	0.0936	0.3742
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0069	0.0645	0.2861
Brugia malayi	acetyltransferase, GNAT family protein	0.0161	0.1875	0.7492
Trypanosoma brucei	phosphoglycerate kinase	0.0189	0.2251	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.2251	0.5232
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0341	0.4302	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0063	0.0271
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0298	0.0298
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0297	0.1179
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0189	0.2251	1
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0069	0.0645	0.2861
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.035	0.1397
Schistosoma mansoni	phosphoglycerate kinase	0.0189	0.2251	0.2251
Schistosoma mansoni	importin beta-1	0.0032	0.0144	0.0144
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0457	0.1063
Echinococcus granulosus	neuropeptide receptor A26	0.0513	0.6607	0.6607
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.035	0.0975
Mycobacterium ulcerans	phosphoglycerate kinase	0.0189	0.2251	0.8995
Treponema pallidum	phosphoglycerate kinase	0.0189	0.2251	0.5
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0189	0.2251	0.8996
Echinococcus multilocularis	neuropeptide receptor A26	0.0513	0.6607	0.6607
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0207	0.2502	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0156	0.1814	0.1814

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3264 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	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: CHEMBL1507787

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 1381116