TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 439.441 | Formula: C24H26NO5P
H donors: 1 H acceptors: 2 LogP: 5.81 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N[C@@H](P(=O)(Oc1ccccc1)Oc1ccccc1)C(C)C)OCc1ccccc1
InChi: 1S/C24H26NO5P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)31(27,29-21-14-8-4-9-15-21)30-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)/t23-/m0/s1
InChiKey: IBIWSUMXYFEOAT-QHCPKHFHSA-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

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

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	< 5 %	Inhibition of human neutrophil elastase at 5 uM after 15 mins	ChEMBL.	21315589
Inhibition (binding)	< 5 %	Inhibition of porcine pancreatic elastase at 5 uM after 15 mins	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: CHEMBL1684328

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 1529577