TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.449 | Formula: C22H29N2O6P
H donors: 5 H acceptors: 6 LogP: 0.07 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)c1ccccc1)NCP(=O)(O)O)C
InChi: 1S/C22H29N2O6P/c1-15(2)12-19(23-14-31(28,29)30)21(25)24-20(22(26)27)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,23H,12-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t19-,20-/m0/s1
InChiKey: ATVSTHAKNHXDKP-PMACEKPBSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	membrane metallo-endopeptidase	Starlite/ChEMBL	No references
Homo sapiens	angiotensin I converting enzyme 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	probable zinc metalloprotease	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma japonicum	ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative	Get druggable targets OG5_127344	All targets in OG5_127344
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	Get druggable targets OG5_127344	All targets in OG5_127344
Echinococcus granulosus	endothelin converting enzyme 1	Get druggable targets OG5_127344	All targets in OG5_127344
Neospora caninum	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Brugia malayi	Peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Mycobacterium ulcerans	zinc metalloprotease	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma japonicum	IPR000718,Peptidase M13, neprilysin,domain-containing	Get druggable targets OG5_127344	All targets in OG5_127344
Onchocerca volvulus		Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Toxoplasma gondii	peptidase family M13 protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	peptidase family M13 containing protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Echinococcus multilocularis	endothelin converting enzyme 1	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127344	All targets in OG5_127344
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	Get druggable targets OG5_127344	All targets in OG5_127344

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
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0038	0.0156	0.0324
Trichomonas vaginalis	pyruvate kinase, putative	0.0036	0.014	0.0262
Entamoeba histolytica	hypothetical protein	0.0074	0.0426	0.6055
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0058	0.0304	0.0304
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Mycobacterium leprae	probable zinc metalloprotease	0.0114	0.0727	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0156	0.0225
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0026	0.0069	0.0109
Echinococcus granulosus	geminin	0.0181	0.1224	0.4434
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0069	0.0251
Entamoeba histolytica	heat shock transcription factor, putative	0.0106	0.0664	1
Brugia malayi	hypothetical protein	0.0074	0.0426	0.0613
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0252	0.0363
Plasmodium vivax	acyl-CoA synthetase, putative	0.0038	0.0156	0.7937
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0197	0.0311
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0197	1
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0252	0.0363
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0727	0.1048
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0141	0.0511
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0036	0.014	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Echinococcus granulosus	pyruvate kinase	0.0036	0.014	0.0507
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0252	0.1605
Echinococcus granulosus	intermediate filament protein	0.0029	0.0089	0.0322
Schistosoma mansoni	neprilysin	0.003	0.0097	0.0097
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0546	0.1976
Onchocerca volvulus		0.0051	0.0258	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0504	0.0727
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0084	0.0504	0.0727
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0089	0.0089
Leishmania major	hypothetical protein, conserved	0.0227	0.1569	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0156	0.0225
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0252	0.0678
Onchocerca volvulus		0.0386	0.2761	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0146	0.021
Echinococcus multilocularis	pyruvate kinase	0.0036	0.014	0.0221
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0058	0.0304	0.0304
Brugia malayi	hypothetical protein	0.0039	0.0166	0.0239
Schistosoma mansoni	hypothetical protein	0.0051	0.0258	0.0258
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0271	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1758	0.2534
Entamoeba histolytica	hypothetical protein	0.0074	0.0426	0.6055
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0028	0.0082	0.0082
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0252	0.1605
Mycobacterium leprae	Conserved hypothetical protein	0.0386	0.2761	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0252	0.0427
Echinococcus granulosus	pyruvate kinase	0.0018	0.0011	0.0038
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0036	0.014	0.0892
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0058	0.0304	0.0304
Echinococcus multilocularis	geminin	0.0181	0.1224	0.1932
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.014	0.0191
Trichomonas vaginalis	pyruvate kinase, putative	0.0036	0.014	0.0262
Leishmania major	pyruvate kinase	0.0036	0.014	0.0892
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0066	0.0095
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0036	0.014	0.0507
Entamoeba histolytica	hypothetical protein	0.0074	0.0426	0.6055
Plasmodium falciparum	pyruvate kinase 2	0.0018	0.0011	0.0535
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.0825	0.1189
Trichomonas vaginalis	peptide N-glycanase, putative	0.0386	0.2761	1
Plasmodium falciparum	pyruvate kinase	0.0036	0.014	0.7099
Schistosoma mansoni	hypothetical protein	0.0036	0.0146	0.0146
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0084	0.0504	0.0727
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0504	0.0727
Brugia malayi	Thioredoxin family protein	0.0386	0.2761	0.3979
Loa Loa (eye worm)	hypothetical protein	0.0276	0.1937	0.2792
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0427	0.0616
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0275	0.1932	0.2784
Echinococcus granulosus	lamin	0.0029	0.0089	0.0322
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0271	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0297	0.0427
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0252	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0156	0.0225
Echinococcus granulosus	pyruvate kinase	0.0036	0.014	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0059	0.0086
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0546	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0156	0.0225
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0546	0.0861
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0128	0.0829	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0504	0.0727
Mycobacterium ulcerans	zinc metalloprotease	0.0114	0.0727	0.2443
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.014	0.0202
Mycobacterium tuberculosis	Hypothetical protein	0.0386	0.2761	1
Giardia lamblia	Hypothetical protein	0.0386	0.2761	1
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0028	0.0082	0.0082
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0252	0.0678
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0036	0.014	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0252	0.0678
Mycobacterium tuberculosis	Conserved protein	0.0386	0.2761	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0036	0.014	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0036	0.014	0.0202
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Plasmodium vivax	pyruvate kinase, putative	0.0036	0.014	0.7099
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.035	0.2492	0.3592
Schistosoma mansoni	hypothetical protein	0.0181	0.1224	0.1224
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0197	0.0284
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0043	0.0197	1
Giardia lamblia	Pyruvate kinase	0.0036	0.014	0.047
Echinococcus multilocularis	endothelin converting enzyme 1	0.0114	0.0727	0.1147
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.014	0.0191
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0197	0.0284
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0258	0.0258
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0252	0.0678
Schistosoma mansoni	hypothetical protein	0.0386	0.2761	0.2761
Schistosoma mansoni	lamin	0.0029	0.0089	0.0089
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0197	0.0284
Brugia malayi	Angiotensin-converting enzyme family protein	0.0945	0.6939	1
Schistosoma mansoni	pyruvate kinase	0.0018	0.0011	0.0011
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0114	0.0727	0.1048
Echinococcus multilocularis	tumor protein p63	0.036	0.2566	0.4051
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Echinococcus multilocularis	lamin dm0	0.0029	0.0089	0.014
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0106	0.0664	0.0957
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0036	0.014	0.0892
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.1569	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0546	0.0861
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0058	0.0304	0.0304
Brugia malayi	intermediate filament protein	0.0029	0.0089	0.0128
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0058	0.0304	0.0304
Schistosoma mansoni	cellular tumor antigen P53	0.0053	0.0268	0.0268
Toxoplasma gondii	pyruvate kinase PyK1	0.0036	0.014	0.1925
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0089	0.0128
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0252	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0271	0.0391
Schistosoma mansoni	hypothetical protein	0.0043	0.0197	0.0197
Toxoplasma gondii	peptidase family M13 protein	0.0114	0.0727	1
Entamoeba histolytica	heat shock transcription factor, putative	0.0106	0.0664	1
Brugia malayi	peptidase family M13 containing protein	0.0028	0.0082	0.0118
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0084	0.0132
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0141	0.0511
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0252	0.0427
Mycobacterium tuberculosis	Long conserved protein	0.0386	0.2761	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0252	0.3183
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0252	0.0363
Mycobacterium ulcerans	pyruvate kinase	0.0036	0.014	0.0262
Loa Loa (eye worm)	pyruvate kinase-PB	0.0025	0.0059	0.0086
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0252	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0727	0.1048
Echinococcus granulosus	survival motor neuron protein 1	0.0252	0.1758	0.6368
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Onchocerca volvulus		0.0051	0.0252	0.061
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0664	0.0957
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0426	0.1541
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.1569	1
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0011	0.0017
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0028	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0727	0.1048
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0252	0.0363
Echinococcus granulosus	pyruvate kinase	0.0018	0.0011	0.0038
Entamoeba histolytica	hypothetical protein	0.0074	0.0426	0.6055
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0028	0.0082	0.0082
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.014	0.0191
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Echinococcus multilocularis	lamin	0.0029	0.0089	0.014
Schistosoma mansoni	lamin	0.0029	0.0089	0.0089
Echinococcus multilocularis	pyruvate kinase	0.0036	0.014	0.0221
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0386	0.2761	1
Mycobacterium leprae	Conserved hypothetical protein	0.0386	0.2761	1
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.014	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0089	0.0128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0546	0.0546
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0275	0.1932	0.2784
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0106	0.0664	0.2152
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1224	0.429
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0546	0.1976
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0258	0.0372
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0252	0.0912
Onchocerca volvulus		0.0053	0.0268	0.0671
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0426	0.0426
Schistosoma mansoni	pyruvate kinase	0.0036	0.014	0.014
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0252	0.3183
Brugia malayi	Peptidase family M13 containing protein	0.0114	0.0727	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0085	0.0123
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0011	0.0017
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0141	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.021
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0252	0.0912
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0546	0.0546
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0066	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0546	0.0786
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0252	0.1605
Schistosoma mansoni	pyruvate kinase	0.0036	0.014	0.014
Brugia malayi	hypothetical protein	0.0039	0.0166	0.0239
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0386	0.2761	1
Echinococcus granulosus	citrate lyase subunit beta protein	0.0026	0.0069	0.0251
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0069	0.0442
Schistosoma mansoni	hypothetical protein	0.0074	0.0426	0.0426
Giardia lamblia	Transglutaminase/protease, putative	0.0386	0.2761	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0252	0.3183
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.014	0.0202
Brugia malayi	MH2 domain containing protein	0.0127	0.0825	0.1189
Echinococcus multilocularis	Transglutaminase	0.0386	0.2761	0.4359
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0069	0.0442
Mycobacterium ulcerans	hypothetical protein	0.0386	0.2761	1
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0945	0.6939	1
Trichomonas vaginalis	glucosylceramidase, putative	0.019	0.1297	0.456
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0864	0.6335	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0252	0.1758	0.2775
Echinococcus granulosus	tumor protein p63	0.036	0.2566	0.9294
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0043	0.0197	0.2711
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0089	0.0128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0546	0.0546
Brugia malayi	hypothetical protein	0.0252	0.1758	0.2534
Echinococcus granulosus	Transglutaminase	0.0386	0.2761	1
Trichomonas vaginalis	glucosylceramidase, putative	0.019	0.1297	0.456
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.0156	0.7937
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0028	0.0082	0.0118
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Echinococcus multilocularis	pyruvate kinase	0.0018	0.0011	0.0017
Entamoeba histolytica	heat shock transcription factor, putative	0.0106	0.0664	1
Plasmodium vivax	pyruvate kinase 2, putative	0.0018	0.0011	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0519	0.0748
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0043	0.0197	0.0284
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Onchocerca volvulus		0.0056	0.0297	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0156	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0268	0.0386
Toxoplasma gondii	pyruvate kinase PyKII	0.0018	0.0011	0.0145
Trypanosoma brucei	pyruvate kinase 1	0.0036	0.014	0.0892
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0141	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0089	0.0128
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0026	0.0069	0.0251
Onchocerca volvulus	Glucosylceramidase homolog	0.0181	0.1224	0.4248
Echinococcus granulosus	endothelin converting enzyme 1	0.0114	0.0727	0.2632
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0825	0.1189
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0271	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0252	0.0363
Schistosoma mansoni	endothelin-converting enzyme-related	0.0028	0.0082	0.0082
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0028	0.0082	0.0082
Mycobacterium ulcerans	hypothetical protein	0.0386	0.2761	1
Trypanosoma brucei	hypothetical protein, conserved	0.0227	0.1569	1
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0252	0.0678
Mycobacterium ulcerans	transglutaminase family protein	0.0386	0.2761	1
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0246	0.1715	0.1715
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0114	0.0727	0.2632
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0982	0.1416
Schistosoma mansoni	hypothetical protein	0.0181	0.1224	0.1224
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.0156	0.0566
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.003	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0252	0.0363
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0386	0.2761	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0114	0.0727	0.0727
Leishmania major	pyruvate kinase	0.0036	0.014	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0504	0.0727
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.0156	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Echinococcus granulosus	lamin dm0	0.0029	0.0089	0.0322
Echinococcus granulosus	pyruvate kinase	0.0018	0.0011	0.0038
Trichomonas vaginalis	glucosylceramidase, putative	0.0275	0.1932	0.6919
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0426	0.0672
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0026	0.0069	0.0442
Echinococcus multilocularis	musashi	0.0029	0.0089	0.014

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 356 nM	In vitro inhibitory concentration against neutral endopeptidase	ChEMBL.	No reference
IC50 (binding)	= 356 nM	In vitro inhibitory concentration against neutral endopeptidase	ChEMBL.	No reference
IC50 (binding)	> 1000 nM	In vitro inhibitory concentration against angiotensin-converting enzyme	ChEMBL.	No reference
IC50 (binding)	> 1000 nM	In vitro inhibitory concentration against angiotensin-converting enzyme	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: CHEMBL92676

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 154279