TDR Targets

Basic information

Technical information

TDR Targets ID: 172246
Name: benzyl N-[5-[(3-fluorophenyl)methyl]-2-oxo-1- [2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopent an-3-yl)amino]ethyl]pyridin-3-yl]carbamate
MW: 561.525 | Formula: C28H27F4N3O5
H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Cn1cc(Cc2cccc(c2)F)cc(c1=O)NC(=O)OCc1ccccc1)NC(C(=O)C(F)(F)F)C(C)C
InChi: 1S/C28H27F4N3O5/c1-17(2)24(25(37)28(30,31)32)34-23(36)15-35-14-20(11-19-9-6-10-21(29)12-19)13-22(26(35)38)33-27(39)40-16-18-7-4-3-5-8-18/h3-10,12-14,17,24H,11,15-16H2,1-2H3,(H,33,39)(H,34,36)
InChiKey: AXJLAJQUZFMOGM-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

benzyl N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)amino]ethyl]-3-pyridyl]carbamate
N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)amino]ethyl]-3-pyridyl]carbamic acid benzyl ester
phenylmethyl N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl)amino]ethyl]pyridin-3-yl]carbamate
N-[5-(3-fluorobenzyl)-2-keto-1-[2-keto-2-[(3,3,3-trifluoro-1-isopropyl-2-keto-propyl)amino]ethyl]-3-pyridyl]carbamic acid benzyl ester
phenylmethyl N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyridin-3-yl]carbamate
phenylmethyl N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)amino]ethyl]-3-pyridyl]carbamate
N-[5-[(3-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)amino]ethyl]-3-pyridyl]carbamic acid phenylmethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	elastase, neutrophil expressed	Starlite/ChEMBL	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
Echinococcus granulosus	transmembrane protease serine 3	elastase, neutrophil expressed	267 aa	236 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	serine/threonine-protein kinase plk-2	0.0081	0.0572	0.053
Echinococcus granulosus	transcription factor Dp 1	0.0033	0.0153	0.0102
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0197	0.1584	1
Plasmodium falciparum	RING zinc finger protein, putative	0.0021	0.0051	0.0051
Echinococcus multilocularis	microtubule associated protein 2	0.0591	0.5016	0.499
Trypanosoma cruzi	hypothetical protein, conserved	0.0414	0.3472	1
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Onchocerca volvulus		0.0021	0.0051	0.0007
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0136	0.0861
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0056	0.036	0.0921
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0031	0.0136	0.0092
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0321	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Schistosoma mansoni	TRABID protein (C64 family)	0.0414	0.3472	0.3438
Echinococcus multilocularis	SWI:SNF matrix associated	0.1162	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0136	0.0249
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.002	0.0045	0.0282
Brugia malayi	Zinc finger protein 183 homolog	0.0021	0.0051	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Onchocerca volvulus		0.0041	0.0228	0.0184
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0136	0.0136
Leishmania major	hypothetical protein	0.0021	0.0051	0.0019
Entamoeba histolytica	hypothetical protein	0.0031	0.0136	0.1734
Brugia malayi	hypothetical protein	0.0031	0.0136	0.0092
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.002	0.0045	0.1394
Brugia malayi	YY1-associated factor 2	0.0414	0.3472	0.3443
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.002	0.0045	0.1394
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Mycobacterium leprae	conserved hypothetical protein	0.0031	0.0136	1
Onchocerca volvulus		0.1162	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0045	0.1394
Echinococcus granulosus	ring and YY1 binding protein	0.0414	0.3472	0.3438
Plasmodium vivax	DNA repair protein RAD5, putative	0.0021	0.0051	0.0051
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0414	0.3472	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.0045
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Echinococcus multilocularis	SWI:SNF matrix associated	0.1162	1	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0031	0.0136	0.4253
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0031	0.0136	0.0086
Loa Loa (eye worm)	jmjC domain-containing protein	0.005	0.0307	0.0307
Trichomonas vaginalis	conserved hypothetical protein	0.1162	1	1
Brugia malayi	Zinc finger, C2H2 type family protein	0.0021	0.0051	0.0007
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0414	0.3472	0.3443
Echinococcus multilocularis	survival motor neuron protein 1	0.0202	0.1632	0.1589
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0572	0.1524
Brugia malayi	jmjC domain containing protein	0.005	0.0307	0.0263
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0056	0.036	0.0311
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0414	0.3472	0.3443
Leishmania major	hypothetical protein, unknown function	0.0021	0.0051	0.0019
Onchocerca volvulus		0.0414	0.3472	0.3443
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0056	0.036	0.0311
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Mycobacterium tuberculosis	Probable lipase LipE	0.0031	0.0136	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0414	0.3472	0.3472
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0321	1
Plasmodium vivax	hypothetical protein, conserved	0.1162	1	1
Loa Loa (eye worm)	brahma associated protein	0.1162	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0321	0.0271
Echinococcus multilocularis	ring and YY1 binding protein	0.0414	0.3472	0.3438
Trypanosoma brucei	hypothetical protein, conserved	0.0414	0.3472	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0056	0.036	0.5979
Schistosoma mansoni	hypothetical protein	0.0041	0.0228	0.0177
Trypanosoma brucei	hypothetical protein, conserved	0.0031	0.0136	0.0249
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0572	0.1524
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0056	0.036	0.0317
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0414	0.3472	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1162	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.005	0.0307	0.0257
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0031	0.0136	0.0861
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.002	0.0045	0.1394
Echinococcus granulosus	zinc finger protein Ran binding	0.0414	0.3472	0.3438
Giardia lamblia	Kinase	0.0021	0.0054	0.0044
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1162	1	1
Plasmodium falciparum	E3 ubiquitin-protein ligase, putative	0.0021	0.0051	0.0051
Schistosoma mansoni	jumonji domain containing protein	0.005	0.0307	0.0257
Onchocerca volvulus		0.0414	0.3472	0.3443
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0052	0.0321	0.0271
Leishmania major	hypothetical protein, conserved	0.0414	0.3472	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0056	0.036	0.0903
Plasmodium vivax	E3 ubiquitin-protein ligase, putative	0.0021	0.0051	0.0051
Schistosoma mansoni	jumonji/arid domain-containing protein	0.005	0.0307	0.0257
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0081	0.0572	0.154
Trypanosoma brucei	polo-like protein kinase	0.0081	0.0572	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Echinococcus granulosus	SWI:SNF matrix associated	0.1162	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0052	0.0321	0.0271
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Trichomonas vaginalis	D-aminoacylase, putative	0.0031	0.0136	0.0086
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Entamoeba histolytica	SPRY domain protein	0.0021	0.0051	0.0124
Mycobacterium leprae	Probable lipase LipE	0.0031	0.0136	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0056	0.036	0.0311
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0694	0.5917	0.5896
Schistosoma mansoni	microtubule-associated protein tau	0.0591	0.5016	0.499
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1162	1	1
Loa Loa (eye worm)	beta-lactamase	0.0031	0.0136	0.0136
Entamoeba histolytica	hypothetical protein	0.0031	0.0136	0.1734
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0414	0.3472	0.3443
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0414	0.3472	0.3438
Brugia malayi	hypothetical protein	0.0202	0.1632	0.1594
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1162	1	1
Loa Loa (eye worm)	RiNg Finger protein family member	0.0021	0.0051	0.0051
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.0045
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Brugia malayi	jmjC domain containing protein	0.005	0.0307	0.0263
Onchocerca volvulus	Protein neuralized homolog	0.0021	0.0051	0.0007
Onchocerca volvulus		0.0031	0.0136	0.0092
Onchocerca volvulus		0.0021	0.0051	0.0007
Echinococcus multilocularis	zinc finger protein Ran binding	0.0414	0.3472	0.3438
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0217	0.0166
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0045	0.0282
Entamoeba histolytica	hypothetical protein	0.0021	0.0051	0.0124
Onchocerca volvulus		0.0021	0.0051	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Mycobacterium tuberculosis	Probable lipase LipD	0.0031	0.0136	0.0861
Schistosoma mansoni	brg-1 associated factor	0.1162	1	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0414	0.3472	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0081	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0414	0.3472	0.3438
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0031	0.0136	0.0861
Schistosoma mansoni	hypothetical protein	0.1162	1	1
Mycobacterium ulcerans	hypothetical protein	0.0031	0.0136	0.4253
Leishmania major	hypothetical protein, conserved	0.0414	0.3472	1
Onchocerca volvulus		0.0031	0.0136	0.0092
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1162	1	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Brugia malayi	Neuralized family protein	0.0021	0.0051	0.0007
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0414	0.3472	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.0136	0.0249
Schistosoma mansoni	hypothetical protein	0.0031	0.0136	0.0085
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.005	0.0307	0.0257
Onchocerca volvulus		0.0031	0.0136	0.0092
Echinococcus granulosus	microtubule associated protein 2	0.0591	0.5016	0.499
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0031	0.0136	0.0085
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1162	1	1
Loa Loa (eye worm)	hypothetical protein	0.0414	0.3472	0.3472
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0414	0.3472	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1632	0.1632
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Echinococcus multilocularis	lysine specific demethylase 5A	0.005	0.0307	0.0257
Schistosoma mansoni	hypothetical protein	0.0414	0.3472	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Chlamydia trachomatis	DNA topoisomerase I	0.1162	1	1
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Plasmodium vivax	zinc finger protein, putative	0.0021	0.0051	0.0051
Loa Loa (eye worm)	RING finger protein 20	0.0021	0.0051	0.0051
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0414	0.3472	1
Giardia lamblia	Kinase, NEK	0.0021	0.0054	0.0044
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0136	0.0861
Leishmania major	hypothetical protein, conserved	0.0414	0.3472	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0081	0.0572	0.0524
Trichomonas vaginalis	esterase, putative	0.0031	0.0136	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Mycobacterium tuberculosis	Conserved protein	0.0031	0.0136	0.0861
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0031	0.0136	0.0085
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0056	0.036	0.0903
Trypanosoma cruzi	hypothetical protein, conserved	0.0414	0.3472	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0414	0.3472	1
Leishmania major	hypothetical protein, conserved	0.0031	0.0136	0.0268
Schistosoma mansoni	fusion	0.0414	0.3472	0.3438
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0031	0.0136	0.4253
Plasmodium vivax	RING zinc finger protein, putative	0.0021	0.0051	0.0051
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0321	1
Schistosoma mansoni	kinase	0.0041	0.0226	0.0176
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0414	0.3472	0.3472
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1162	1	1
Onchocerca volvulus		0.0414	0.3472	0.3443
Mycobacterium tuberculosis	Probable hydrolase	0.0031	0.0136	0.0861
Plasmodium falciparum	trophozoite exported protein 1	0.0021	0.0051	0.0051
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0045	0.1394
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0031	0.0136	0.0136
Mycobacterium tuberculosis	Probable esterase LipL	0.0031	0.0136	0.0861
Loa Loa (eye worm)	hypothetical protein	0.002	0.0045	0.0045
Toxoplasma gondii	ran binding protein	0.0414	0.3472	0.3438
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0031	0.0136	0.0086
Brugia malayi	beta-lactamase family protein	0.0031	0.0136	0.0092
Trichomonas vaginalis	penicillin-binding protein, putative	0.0031	0.0136	0.0086
Trypanosoma cruzi	hypothetical protein, conserved	0.0414	0.3472	1
Leishmania major	hypothetical protein, conserved	0.0414	0.3472	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0414	0.3472	1
Brugia malayi	B-box zinc finger family protein	0.0021	0.0051	0.0007
Giardia lamblia	Kinase, PLK	0.0081	0.0572	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Onchocerca volvulus	RING finger protein 141 homolog	0.0021	0.0051	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0081	0.0572	1
Loa Loa (eye worm)	hypothetical protein	0.0414	0.3472	0.3472
Echinococcus multilocularis	SWI:SNF matrix associated	0.1162	1	1
Brugia malayi	beta-lactamase family protein	0.0031	0.0136	0.0092
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0414	0.3472	0.3443
Loa Loa (eye worm)	hypothetical protein	0.0414	0.3472	0.3472
Brugia malayi	SWIB/MDM2 domain containing protein	0.1162	1	1
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0414	0.3472	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0045	0.1394
Toxoplasma gondii	ABC1 family protein	0.0031	0.0136	0.0086
Plasmodium vivax	E3 ubiquitin-protein ligase RNF5, putative	0.0021	0.0051	0.0051
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1162	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0572	0.0524
Plasmodium vivax	trophozoite exported protein 1, putative	0.0021	0.0051	0.0051
Echinococcus granulosus	beta LACTamase domain containing family member	0.0031	0.0136	0.0086
Entamoeba histolytica	hypothetical protein	0.0031	0.0136	0.1734
Brugia malayi	RING zinc finger protein	0.0021	0.0051	0.0007
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0414	0.3472	0.3438
Trichomonas vaginalis	D-aminoacylase, putative	0.0031	0.0136	0.0086
Giardia lamblia	Kinase, NEK	0.0021	0.0054	0.0044
Mycobacterium ulcerans	hypothetical protein	0.002	0.0045	0.1394
Onchocerca volvulus		0.0021	0.0051	0.0007
Mycobacterium ulcerans	beta-lactamase	0.0031	0.0136	0.4253
Schistosoma mansoni	serine/threonine protein kinase	0.0081	0.0572	0.0524
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0031	0.0136	0.0086
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0056	0.036	0.036
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.005	0.0307	0.0257
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Schistosoma mansoni	jumonji/arid domain-containing protein	0.005	0.0307	0.0257
Trichomonas vaginalis	penicillin-binding protein, putative	0.0031	0.0136	0.0086
Schistosoma mansoni	hypothetical protein	0.1162	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Entamoeba histolytica	hypothetical protein	0.0021	0.0051	0.0124
Mycobacterium ulcerans	lipase LipD	0.0031	0.0136	0.4253
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0031	0.0136	0.0861
Schistosoma mansoni	survival motor neuron protein	0.0041	0.0228	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0217	0.0166
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0052	0.0321	0.2026
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0321	1
Onchocerca volvulus		0.0021	0.0051	0.0007
Trichomonas vaginalis	D-aminoacylase, putative	0.0031	0.0136	0.0086
Leishmania major	hypothetical protein, conserved	0.0414	0.3472	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0051	0.0019
Schistosoma mansoni	transcription factor LCR-F1	0.0031	0.0136	0.0085
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0414	0.3472	0.3443
Schistosoma mansoni	hypothetical protein	0.1162	1	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0081	0.0572	0.0524
Leishmania major	DNA repair protein-like protein	0.0021	0.0051	0.0019
Echinococcus granulosus	Zinc finger RanBP2 type	0.0414	0.3472	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0051	0.0051
Plasmodium falciparum	zinc finger protein, putative	0.0021	0.0051	0.0051
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0081	0.0572	0.053
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0136	0.0136
Brugia malayi	brahma associated protein 60 kDa	0.1162	1	1
Chlamydia trachomatis	SWIB complex protein	0.1162	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0414	0.3472	1
Echinococcus multilocularis	transcription factor Dp 1	0.0033	0.0153	0.0102
Mycobacterium ulcerans	acyl-CoA synthetase	0.002	0.0045	0.1394
Schistosoma mansoni	zinc finger protein	0.0414	0.3472	0.3438
Toxoplasma gondii	aldehyde dehydrogenase	0.0052	0.0321	0.0271
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0054	0.0002
Echinococcus granulosus	survival motor neuron protein 1	0.0202	0.1632	0.1589
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Onchocerca volvulus	Putative RING finger protein 207	0.0021	0.0051	0.0007
Plasmodium falciparum	E3 ubiquitin-protein ligase RNF5, putative	0.0021	0.0051	0.0051
Trypanosoma brucei	hypothetical protein, conserved	0.0414	0.3472	1
Brugia malayi	Hypothetical RING finger protein C16C10.7 in chromosome III	0.0021	0.0051	0.0007
Brugia malayi	beta-lactamase	0.0031	0.0136	0.0092
Schistosoma mansoni	RNA binding protein	0.0414	0.3472	0.3438
Brugia malayi	RING finger protein 20	0.0021	0.0051	0.0007
Onchocerca volvulus		0.0021	0.0051	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0414	0.3472	0.3472
Entamoeba histolytica	hypothetical protein	0.0031	0.0136	0.1734
Brugia malayi	hypothetical protein	0.0021	0.0051	0.0007
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0052	0.0321	0.0806
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0041	0.0228	0.0184
Entamoeba histolytica	zinc finger domain containing protein	0.0021	0.0051	0.0124
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0056	0.036	0.0903
Onchocerca volvulus		0.0414	0.3472	0.3443

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 87 nM	The compound was tested in vitro for ability to inhibit human leukocyte elastase activity	ChEMBL.	7932532
Ki (binding)	= 87 nM	The compound was tested in vitro for ability to inhibit human leukocyte elastase activity	ChEMBL.	7932532

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

PubChem: 10257257

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 172246