TDR Targets

Basic information

Technical information

TDR Targets ID: 1490487
Name: phenylmethyl N-[1-[bis(phenoxy)phosphoryl]pro pyl]carbamate
MW: 425.414 | Formula: C23H24NO5P
H donors: 1 H acceptors: 2 LogP: 5.37 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCC(P(=O)(Oc1ccccc1)Oc1ccccc1)NC(=O)OCc1ccccc1
InChi: 1S/C23H24NO5P/c1-2-22(24-23(25)27-18-19-12-6-3-7-13-19)30(26,28-20-14-8-4-9-15-20)29-21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3,(H,24,25)
InChiKey: VMMMBCJXTBUYKN-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-[1-[bis(phenoxy)phosphoryl]propyl]carbamic acid phenylmethyl ester
N-[1-[bis(phenoxy)phosphoryl]propyl]carbamic acid benzyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus multilocularis	nmda type glutamate receptor	0.0009	0.0003	0.0002
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0254	0.1277	0.158
Schistosoma mansoni	cpg binding protein	0.003	0.011	0.0108
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0091	0.0427	0.0425
Schistosoma mansoni	ATP-binding cassette transporter	0.0025	0.0083	0.0081
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0292	0.1472	0.1943
Schistosoma mansoni	sodium/solute symporter	0.0038	0.0151	0.0149
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0038	0.0151	0.0151
Schistosoma mansoni	high-affinity choline transporter	0.0341	0.1732	0.173
Schistosoma mansoni	glutamate receptor kainate	0.0025	0.0083	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0009	0.0003	0.0002
Echinococcus multilocularis	NMDA receptor	0.0009	0.0003	0.0002
Echinococcus granulosus	glutamate receptor 2	0.0071	0.0324	0.0372
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.1124	0.5805	1
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0334	0.1695	0.2357
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.1124	0.5805	0.6688
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0038	0.0151	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Schistosoma mansoni	inositol transporter	0.0038	0.0151	0.0149
Toxoplasma gondii	hypothetical protein	0.0833	0.4288	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0287	0.1449	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0292	0.1472	0.824
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0091	0.0427	0.0425
Onchocerca volvulus		0.0292	0.1472	1
Brugia malayi	Sodium:solute symporter family protein	0.0038	0.0151	0.026
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0334	0.1695	0.1952
Echinococcus granulosus	cpg binding protein	0.003	0.011	0.0126
Mycobacterium ulcerans	oxidoreductase	0.0254	0.1277	0.0635
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.1931	1	1
Mycobacterium ulcerans	dehydrogenase	0.0254	0.1277	0.0635
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0334	0.1695	0.2357
Echinococcus multilocularis	high affinity choline transporter 1	0.0341	0.1732	0.1731
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0334	0.1695	1
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0334	0.1695	0.2357
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.1677	0.8678	1
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0334	0.1695	0.292
Mycobacterium ulcerans	monoamine oxidase	0.0254	0.1277	0.0635
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0025	0.0083	0.0083
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0254	0.1277	0.158
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0292	0.1472	0.1695
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0244	0.1223	0.148
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0091	0.0427	0.0492
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.1124	0.5805	0.5804
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0254	0.1277	0.6703
Onchocerca volvulus		0.0038	0.0151	0.0359
Giardia lamblia	Rab geranylgeranyltransferase	0.1124	0.5805	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.1124	0.5805	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.1931	1	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.1931	1	1
Giardia lamblia	Rab geranylgeranyltransferase	0.0292	0.1472	0.1943
Echinococcus granulosus	solute carrier family 5	0.0038	0.0151	0.0173
Echinococcus granulosus	glutamate receptor 1	0.0042	0.0171	0.0197
Brugia malayi	amine oxidase, flavin-containing family protein	0.0254	0.1277	0.22
Plasmodium vivax	hypothetical protein, conserved	0.0254	0.1277	0.158
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0091	0.0427	0.0736
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0334	0.1695	0.2357
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0292	0.1472	0.1469
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0091	0.0427	0.0736
Schistosoma mansoni	inositol transporter	0.0038	0.0151	0.0149
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0009	0.0003	0.0002
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0091	0.0427	0.0425
Leishmania major	farnesyltransferase beta subunit	0.0334	0.1695	1
Plasmodium vivax	hypothetical protein, conserved	0.0254	0.1277	0.158
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Schistosoma mansoni	glutamate receptor kainate	0.0025	0.0083	0.0081
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0009	0.0003	0.0002
Plasmodium falciparum	protoporphyrinogen oxidase	0.0254	0.1277	0.158
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0334	0.1695	0.1693
Schistosoma mansoni	glutamate receptor NMDA	0.0029	0.0108	0.0105
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0254	0.1277	0.158
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0256	0.1286	0.2743
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0292	0.1472	0.824
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0038	0.0151	0.0151
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.1931	1	1
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0334	0.1695	0.3731
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1472	0.824
Echinococcus granulosus	high affinity choline transporter 1	0.0341	0.1732	0.1995
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0334	0.1695	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0833	0.4288	0.718
Echinococcus granulosus	glutamate receptor 2	0.0062	0.0276	0.0318
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0292	0.1472	0.2535
Brugia malayi	GH02984p	0.0341	0.1732	0.2983
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0292	0.1472	0.1943
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0292	0.1472	0.1471
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0334	0.1695	0.2357
Schistosoma mansoni	cpg binding protein	0.003	0.011	0.0108
Echinococcus granulosus	glutamate receptor 4	0.0042	0.0171	0.0197
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.1124	0.5805	1
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0091	0.0427	0.0427
Toxoplasma gondii	hypothetical protein	0.0292	0.1472	0.3192
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1472	0.824
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0292	0.1472	0.824
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0292	0.1472	0.1471
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0071	0.0324	0.0323
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0091	0.0427	0.0427
Echinococcus granulosus	protoporphyrinogen oxidase	0.1677	0.8678	1
Echinococcus granulosus	sodium:glucose cotransporter	0.0038	0.0151	0.0173
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0108	0.0107
Brugia malayi	Glutamate receptor 2 precursor	0.0066	0.0299	0.0516
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0334	0.1695	0.2357
Echinococcus multilocularis	glutamate receptor 4	0.0042	0.0171	0.0171
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Echinococcus multilocularis	glutamate receptor 2	0.0066	0.0299	0.0299
Brugia malayi	hypothetical protein	0.0254	0.1277	0.22
Giardia lamblia	Fructose-bisphosphate aldolase	0.0287	0.1449	0.19
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0292	0.1472	0.824
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0009	0.0003	0.0002
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0292	0.1472	0.1695
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.1124	0.5805	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0254	0.1277	0.0635
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0009	0.0003	0.0002
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0254	0.1277	0.1471
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.1124	0.5805	0.5804
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0102	0.0176
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1472	0.824
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0233	0.0199
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Leishmania major	UDP-galactopyranose mutase	0.0254	0.1277	0.6703
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0038	0.0151	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0171	0.0294
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Schistosoma mansoni	glutamate receptor AMPA	0.0025	0.0083	0.0081
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0334	0.1695	0.1694
Loa Loa (eye worm)	glutamate receptor 1	0.0066	0.0299	0.0515
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0292	0.1472	0.2535
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0071	0.0324	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0427	0.0735
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Brugia malayi	Glutamate receptor 1 precursor	0.0066	0.0299	0.0516
Schistosoma mansoni	glutamate receptor AMPA	0.0025	0.0083	0.0081
Brugia malayi	SWIRM domain containing protein	0.0254	0.1277	0.22
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0038	0.0151	0.0151
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0108	0.0107
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0334	0.1695	0.2357
Mycobacterium tuberculosis	Possible oxidoreductase	0.0254	0.1277	0.103
Trypanosoma brucei	hypothetical protein, conserved	0.0292	0.1472	0.824
Echinococcus multilocularis	glutamate receptor 2	0.0071	0.0324	0.0323
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.1124	0.5805	1
Schistosoma mansoni	glutamate receptor NMDA	0.0025	0.0083	0.0081
Toxoplasma gondii	histone lysine-specific demethylase	0.0254	0.1277	0.2721
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0334	0.1695	0.2357
Echinococcus multilocularis	cpg binding protein	0.003	0.011	0.011
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0051	0.0219	0.0218
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0292	0.1472	0.824
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0029	0.0108	0.0107
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0108	0.0123
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0009	0.0003	0.0002
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.1124	0.5805	1
Loa Loa (eye worm)	hypothetical protein	0.0254	0.1277	0.2199
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0292	0.1472	0.1943
Schistosoma mansoni	amine oxidase	0.0254	0.1277	0.1275
Giardia lamblia	Prenyltransferase	0.0334	0.1695	0.2357
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.1124	0.5805	1
Onchocerca volvulus		0.0254	0.1277	0.8577
Loa Loa (eye worm)	hypothetical protein	0.0341	0.1732	0.2983
Echinococcus multilocularis		0.0254	0.1277	0.1276
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0091	0.0427	0.0667
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Schistosoma mansoni	cpg binding protein	0.0028	0.0102	0.0099
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0108	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0171	0.0294
Trypanosoma cruzi	hypothetical protein, conserved	0.0292	0.1472	0.824
Schistosoma mansoni	amine oxidase	0.0254	0.1277	0.1275
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0267	0.0264
Schistosoma mansoni	glutamate receptor kainate	0.0025	0.0083	0.0081
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0102	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0171	0.0294
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0091	0.0427	0.0735
Echinococcus multilocularis	glutamate receptor 2	0.0062	0.0276	0.0276
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0334	0.1695	0.2357
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0254	0.1277	0.6703
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0292	0.1472	0.1943
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0254	0.1277	0.0635
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0051	0.0219	0.0251
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0287	0.1449	0.19
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0334	0.1695	0.2919
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0038	0.0151	0.0173
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0254	0.1277	0.158
Loa Loa (eye worm)	glutamate receptor 2	0.0025	0.0083	0.0143
Echinococcus granulosus	nmda type glutamate receptor	0.0009	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.1124	0.5805	1
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0091	0.0427	0.0667
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0254	0.1277	0.1471
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.0685	0.0312
Echinococcus multilocularis	solute carrier family 5	0.0038	0.0151	0.0151
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0025	0.0083	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0427	0.0735
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.1124	0.5805	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0029	0.0108	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0259
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0334	0.1695	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0254	0.1277	0.1276
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0254	0.1277	0.1275
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0254	0.1277	0.103

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	< 5 %	Inhibition of porcine pancreatic elastase at 5 uM after 15 mins	ChEMBL.	21315589
Ratio (binding)	< 50 /M/s	Ratio of dissociation of enzyme-inhibitor-substrate complex to Ki for human neutrophil elastase	ChEMBL.	21315589

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: CHEMBL1684317

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 1490487