TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.222 | Formula: C16H17IN2O3
H donors: 1 H acceptors: 3 LogP: 2.69 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCn1c(=O)c2cccc3c2c(c1=O)ccc3O)C.I
InChi: 1S/C16H16N2O3.HI/c1-17(2)8-9-18-15(20)11-5-3-4-10-13(19)7-6-12(14(10)11)16(18)21;/h3-7,19H,8-9H2,1-2H3;1H
InChiKey: YXXGBTVPWJKOEH-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

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
Loa Loa (eye worm)	beta-lactamase	0.007	0.0094	0.0435
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0052	0.0062	0.2437
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0017	0.053
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0101	0.0469
Onchocerca volvulus		0.0259	0.0428	0.5183
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0012	0.0374
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	1
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0032	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0101	0.0469
Plasmodium vivax	plasmepsin V, putative	0.002	0.0005	0.0197
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0145	0.4208
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.014	0.5558
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.0329	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Plasmodium vivax	unspecified product	0.0027	0.0017	0.0732
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0029	0.0021	0.0015
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0017	0.0162
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0017	0.0017
Brugia malayi	cathepsin L-like precursor	0.0036	0.0032	0.0149
Echinococcus granulosus	survival motor neuron protein 1	0.123	0.2151	0.2147
Schistosoma mansoni	hypothetical protein	0.004	0.004	0.004
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.0143	0.0143
Brugia malayi	hypothetical protein	0.002	0.0005	0.0022
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Mycobacterium tuberculosis	Conserved protein	0.007	0.0094	0.0163
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.0094	0.0163
Loa Loa (eye worm)	oxidoreductase	0.0029	0.0021	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0012	0.0057
Toxoplasma gondii	cathepsin CPL	0.0053	0.0063	0.2507
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.01	0.0145	0.0255
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.0063	0.0294
Mycobacterium tuberculosis	Transcriptional regulatory repressor protein (TetR-family) EthR	0.279	0.4916	1
Brugia malayi	Probable ClpP-like protease	0.0152	0.0238	0.1108
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0021	0.0412
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Schistosoma mansoni	cathepsin D (A01 family)	0.002	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.002	0.0005	0.0022
Schistosoma mansoni	hypothetical protein	0.0259	0.0428	0.0428
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0029	0.0021	0.0015
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0094	0.2294
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0094	0.0094
Echinococcus multilocularis	cysteine protease	0.0053	0.0063	0.0059
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0017	0.0081
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.0094	0.0163
Plasmodium vivax	aspartyl protease, putative	0.002	0.0005	0.0197
Loa Loa (eye worm)	cysteine protease	0.0053	0.0063	0.0294
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Mycobacterium leprae	Probable lipase LipE	0.007	0.0094	0.0149
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0022	0.0022
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.0201	0.0933
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0017	0.0017
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0094	0.2294
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	0.0444
Loa Loa (eye worm)	hypothetical protein	0.002	0.0005	0.0022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0029	0.0021	0.0146
Echinococcus granulosus	cathepsin l1	0.0036	0.0032	0.0027
Brugia malayi	Eukaryotic aspartyl protease family protein	0.002	0.0005	0.0022
Onchocerca volvulus		0.01	0.0145	0.1723
Echinococcus granulosus	cathepsin l1	0.0053	0.0063	0.0059
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.01	0.0145	0.0255
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0022	0.0746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0866
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0042	0.0038
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0094	0.0163
Schistosoma mansoni	patched 1	0.0041	0.0042	0.0042
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0094	0.2294
Leishmania major	hypothetical protein, conserved	0.007	0.0094	0.2568
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Mycobacterium tuberculosis	Conserved protein	0.007	0.0094	0.0163
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0152	0.0238	0.0233
Echinococcus multilocularis	expressed conserved protein	0.0091	0.013	0.0125
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0053	0.0063	0.0294
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.0341	0.1584
Schistosoma mansoni	hypothetical protein	0.004	0.004	0.004
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Plasmodium vivax	SET domain protein, putative	0.003	0.0022	0.0928
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.01	0.0145	0.0269
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0017	0.0162
Echinococcus granulosus	cathepsin L	0.0027	0.0017	0.0013
Brugia malayi	Pre-SET motif family protein	0.003	0.0022	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0021	0.0096
Mycobacterium ulcerans	lipase LipD	0.007	0.0094	0.0149
Loa Loa (eye worm)	hypothetical protein	0.01	0.0145	0.0676
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.0063	0.0059
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0053	0.0048
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0042	0.0038
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0152	0.0238	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0353	0.1643
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0042	0.0969
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0152	0.0238	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0449	0.0766	0.1535
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.01	0.0145	0.0269
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0152	0.0238	0.0233
Entamoeba histolytica	acyl-CoA synthetase, putative	0.01	0.0145	0.5809
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.0063	0.0717
Schistosoma mansoni	hypothetical protein	0.004	0.004	0.004
Trypanosoma cruzi	major cysteine proteinase, putative	0.016	0.0252	0.7656
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.0215	0.021
Onchocerca volvulus		0.025	0.0413	0.4997
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0238	0.1108
Entamoeba histolytica	hypothetical protein	0.0152	0.0238	1
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Leishmania major	cathepsin L-like protease	0.0053	0.0063	0.161
Plasmodium vivax	vivapain-1	0.0027	0.0017	0.0732
Loa Loa (eye worm)	hypothetical protein	0.01	0.0145	0.0676
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0029	0.0021	0.0096
Brugia malayi	Pre-SET motif family protein	0.021	0.0341	0.1584
Loa Loa (eye worm)	hypothetical protein	0.123	0.2151	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0251	0.0414	0.1924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Entamoeba histolytica	hypothetical protein	0.0152	0.0238	1
Plasmodium vivax	aspartyl proteinase, putative	0.002	0.0005	0.0197
Echinococcus granulosus	expressed conserved protein	0.0091	0.013	0.0125
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0021	0.0264
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0094	0.2294
Mycobacterium ulcerans	beta-lactamase	0.007	0.0094	0.0149
Trypanosoma cruzi	cysteine peptidase, putative	0.0053	0.0063	0.1924
Schistosoma mansoni	acetyl-CoA synthetase	0.0029	0.0021	0.0021
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0022	0.0022
Leishmania major	cathepsin L-like protease	0.0203	0.0329	1
Mycobacterium leprae	conserved hypothetical protein	0.007	0.0094	0.0149
Onchocerca volvulus	Cathepsin F homolog	0.0053	0.0063	0.0717
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.0063	0.0063
Onchocerca volvulus		0.0053	0.0063	0.0717
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.014	0.0135
Echinococcus granulosus	cathepsin L cysteine protease	0.0027	0.0017	0.0013
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.014	0.0651
Brugia malayi	Hemopexin family protein	0.0259	0.0428	0.1991
Leishmania major	cathepsin L-like protease	0.0053	0.0063	0.161
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0217	0.0353	0.0353
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0036	0.0032	0.0149
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0029	0.0021	0.0015
Onchocerca volvulus		0.0217	0.0353	0.4267
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0101	0.0469
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Leishmania major	cathepsin L-like protease	0.0203	0.0329	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0012	0.0326
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.01	0.0145	0.0255
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0074	0.0101	0.0164
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0264	0.0437	0.0864
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Loa Loa (eye worm)	fibroinase	0.0053	0.0063	0.0294
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Plasmodium vivax	vivapain-2	0.0053	0.0063	0.2654
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0053	0.0063	0.0059
Mycobacterium ulcerans	hydrolase	0.0264	0.0437	0.0851
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Mycobacterium ulcerans	hypothetical protein	0.007	0.0094	0.0149
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.074	0.1281	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0101	0.0469
Schistosoma mansoni	hypothetical protein	0.0152	0.0238	0.0238
Onchocerca volvulus		0.0036	0.0032	0.0334
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Onchocerca volvulus		0.0029	0.0021	0.0195
Onchocerca volvulus		0.0239	0.0392	0.4741
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0032	0.0149
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0021	0.0015
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0053	0.0063	0.2507
Onchocerca volvulus		0.0029	0.0021	0.0195
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.0094	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0101	0.0469
Trypanosoma cruzi	cysteine protease, putative	0.0027	0.0017	0.053
Entamoeba histolytica	cysteine proteinase, putative	0.0036	0.0032	0.0661
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0021	0.0015
Brugia malayi	beta-lactamase family protein	0.007	0.0094	0.0435
Brugia malayi	Matrixin family protein	0.0476	0.0813	0.3779
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0128	0.0197	0.0192
Entamoeba histolytica	cysteine protease, putative	0.0053	0.0063	0.2079
Schistosoma mansoni	hypothetical protein	0.0128	0.0197	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0437	0.2033
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.0094	0.0163
Entamoeba histolytica	acyl-CoA synthetase, putative	0.01	0.0145	0.5809
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.0094	0.0435
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0021	0.0628
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0027	0.0017	0.053
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0481	0.0822	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0042	0.0196
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.0215	0.0215
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0021	0.0264
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0022	0.0022
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.01	0.0145	0.0255
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.0329	1
Loa Loa (eye worm)	aspartyl protease 6	0.002	0.0005	0.0022
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0074	0.0101	0.0178
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0053	0.0063	0.2507
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Onchocerca volvulus		0.0251	0.0414	0.5007
Brugia malayi	hypothetical protein	0.002	0.0005	0.0022
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0042	0.0038
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0029	0.0021	0.0016
Onchocerca volvulus		0.0029	0.0021	0.0195
Mycobacterium ulcerans	TetR family transcriptional regulator	0.279	0.4916	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Plasmodium vivax	plasmepsin IV, putative	0.002	0.0005	0.0197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Mycobacterium ulcerans	AcrR family transcriptional regulator	0.279	0.4916	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0012	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0021	0.0096
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.002	0.0015
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.01	0.0145	0.0255
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1585	0.2778	0.2775
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.01	0.0145	0.0255
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.002	0.0005	0.0022
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0012	0.0374
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0021	0.0015
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0017	0.0329
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0021	0.0015
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0152	0.0238	0.0444
Brugia malayi	beta-lactamase family protein	0.007	0.0094	0.0435
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0017	0.053
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0017	0.053
Plasmodium vivax	aspartyl protease, putative	0.002	0.0005	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0353	0.1643
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0022	0.0017
Onchocerca volvulus		0.003	0.0022	0.0213
Echinococcus multilocularis	survival motor neuron protein 1	0.123	0.2151	0.2147
Brugia malayi	Pepsin A precursor	0.002	0.0005	0.0022
Schistosoma mansoni	survival motor neuron protein	0.0251	0.0414	0.0414
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Loa Loa (eye worm)	hypothetical protein	0.01	0.0145	0.0676
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.01	0.0145	0.0269
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0152	0.0238	0.0234
Plasmodium falciparum	acyl-CoA synthetase	0.0074	0.0101	0.4114
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0152	0.0238	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0027	0.0017	0.0546
Trypanosoma cruzi	cruzipain precursor, putative	0.0203	0.0329	1
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.0094	0.0435
Mycobacterium leprae	Probable transcriptional regulatory repressor protein (TetR-family) EthR	0.279	0.4916	1
Schistosoma mansoni	hypothetical protein	0.0251	0.0414	0.0414
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Leishmania major	cysteine peptidase A (CPA)	0.0053	0.0063	0.161
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0683
Schistosoma mansoni	hypothetical protein	0.004	0.004	0.004
Plasmodium vivax	vivapain-3	0.0027	0.0017	0.0732
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0063	0.2079
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0264
Loa Loa (eye worm)	hypothetical protein	0.025	0.0413	0.192
Brugia malayi	Matrixin family protein	0.0217	0.0353	0.1643
Leishmania major	cathepsin L-like protease	0.0053	0.0063	0.161
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0063	0.0294
Brugia malayi	hypothetical protein	0.0025	0.0012	0.0057
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0032	0.0705
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.0094	0.0149
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Plasmodium vivax	aspartyl protease, putative	0.002	0.0005	0.0197
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	1
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0264
Onchocerca volvulus		0.0029	0.0021	0.0195
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0059	0.0273
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0022	0.0017
Trichomonas vaginalis	esterase, putative	0.007	0.0094	0.2294
Echinococcus granulosus	Niemann Pick C1 protein	0.0138	0.0213	0.0209
Schistosoma mansoni	cathepsin D (A01 family)	0.002	0.0005	0.0005
Entamoeba histolytica	acyl-coA synthetase, putative	0.01	0.0145	0.5809
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0145	0.0255
Brugia malayi	Matrixin family protein	0.0217	0.0353	0.1643
Plasmodium vivax	vivapain-2	0.0053	0.0063	0.2654
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.0215	0.0215
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0145	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0032	0.0149
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.074	0.1281	0.1277
Leishmania major	cathepsin L-like protease	0.0203	0.0329	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.0329	1
Mycobacterium tuberculosis	Conserved protein	0.007	0.0094	0.0163
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0628
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Loa Loa (eye worm)	matrixin family protein	0.0481	0.0822	0.3821
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0128	0.0197	0.0192
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0145	0.0255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Brugia malayi	hypothetical protein	0.123	0.2151	1
Onchocerca volvulus		0.0053	0.0063	0.0717
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0029	0.0021	0.0096
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0094	0.2846
Onchocerca volvulus		0.007	0.0094	0.1087
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0052	0.0062	0.0084
Echinococcus multilocularis	protein patched	0.0041	0.0042	0.0038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Plasmodium vivax	aspartyl proteinase, putative	0.002	0.0005	0.0197
Onchocerca volvulus		0.0053	0.0063	0.0717
Schistosoma mansoni	peptidase Clp (S14 family)	0.0152	0.0238	0.0238
Brugia malayi	aspartic protease BmAsp-2, identical	0.002	0.0005	0.0022
Loa Loa (eye worm)	hypothetical protein	0.003	0.0022	0.0103
Mycobacterium ulcerans	transcriptional regulator	0.279	0.4916	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0029	0.0021	0.0016
Schistosoma mansoni	microtubule-associated protein tau	0.5657	1	1
Onchocerca volvulus	Matrilysin homolog	0.0217	0.0353	0.4267
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0029	0.0021	0.0015
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.0094	0.0163
Toxoplasma gondii	ABC1 family protein	0.007	0.0094	0.3804
Brugia malayi	aspartic protease BmAsp-1, identical	0.002	0.0005	0.0022
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0185	0.0297	0.905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0052	0.0062	0.2586
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0053	0.0063	0.2507
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0017	0.0081
Toxoplasma gondii	propionate-CoA ligase	0.0029	0.0021	0.0683
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0029	0.0021	0.0628
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.01	0.0145	0.0269
Schistosoma mansoni	cellular tumor antigen P53	0.025	0.0413	0.0413
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.0201	0.0933
Onchocerca volvulus	Matrilysin homolog	0.0481	0.0822	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0029	0.0021	0.0015
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.002	0.0005	0.0022
Onchocerca volvulus		0.007	0.0094	0.1087
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0145	0.4208
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0094	0.2846
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0022	0.0017
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0094	0.0163
Toxoplasma gondii	hypothetical protein	0.0052	0.0062	0.2437
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.0063	0.0059
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.0392	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0042	0.0196
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0017	0.0017
Brugia malayi	hypothetical protein	0.0152	0.0238	0.1106
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.0094	0.0089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0017	0.0329
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.0094	0.0163
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	0.0444
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.0094	0.0149
Entamoeba histolytica	hypothetical protein	0.0152	0.0238	1
Echinococcus granulosus	tumor protein p63	0.1711	0.3003	0.3
Schistosoma mansoni	memapsin-2 (A01 family)	0.0504	0.0863	0.0863
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0152	0.0238	0.5
Plasmodium vivax	acyl-CoA synthetase, putative	0.0074	0.0101	0.423
Schistosoma mansoni	cathepsin F (C01 family)	0.0036	0.0032	0.0032
Schistosoma mansoni	transcription factor LCR-F1	0.0152	0.0238	0.0238
Onchocerca volvulus		0.0053	0.0063	0.0717
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0628
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.0063	0.1511
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.0063	0.0717
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.0094	0.0163
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.002	0.0005	0.0005
Onchocerca volvulus		0.0053	0.0063	0.0717
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0094	0.2294
Leishmania major	acetyl-CoA synthetase, putative	0.0029	0.0021	0.0264
Loa Loa (eye worm)	matrixin family protein	0.0476	0.0813	0.3779
Loa Loa (eye worm)	hypothetical protein	0.0097	0.014	0.0651
Loa Loa (eye worm)	matrix metalloproteinase	0.0217	0.0353	0.1643
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.0329	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.019	0.0307	0.0307
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0094	0.0163
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.01	0.0145	0.0255
Loa Loa (eye worm)	ctsf protein	0.0053	0.0063	0.0294
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0012	0.0326
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Loa Loa (eye worm)	hypothetical protein	0.007	0.0094	0.0435
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0094	0.0163
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0029	0.0021	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0032	0.0149
Brugia malayi	CHE-14 protein	0.0041	0.0042	0.0196
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0145	0.0676
Mycobacterium leprae	PROBABLE HYDROLASE	0.0264	0.0437	0.0851
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0152	0.0238	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0029	0.0021	0.0015
Onchocerca volvulus		0.0053	0.0063	0.0717
Echinococcus multilocularis	tumor protein p63	0.1711	0.3003	0.3
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0353	0.1643
Brugia malayi	Cathepsin L-like precursor	0.0053	0.0063	0.0294
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.0063	0.0063
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0032	0.0705
Brugia malayi	beta-lactamase	0.007	0.0094	0.0435
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.0063	0.0059
Leishmania major	cathepsin L-like protease	0.0053	0.0063	0.161
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.0063	0.2079
Brugia malayi	MH2 domain containing protein	0.0131	0.0201	0.0933
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.0094	0.2568
Leishmania major	4-coumarate:coa ligase-like protein	0.01	0.0145	0.4208
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.0063	0.1511
Trichomonas vaginalis	antibiotic synthetase, putative	0.0029	0.0021	0.0412
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0053	0.0063	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.0063	0.1511
Echinococcus granulosus	peptidase Clp S14 family	0.01	0.0145	0.0141
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0029	0.0021	0.0683
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.014	0.0135
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0029	0.0021	0.0683
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.0063	0.0059
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0032	0.0149
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0094	0.3926
Echinococcus multilocularis	cysteine protease	0.0053	0.0063	0.0059
Echinococcus multilocularis	peptidase Clp (S14 family)	0.01	0.0145	0.0141
Leishmania major	cathepsin L-like protease	0.0053	0.0063	0.161
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0264	0.0437	0.2033
Mycobacterium ulcerans	hypothetical protein	0.01	0.0145	0.0255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.0063	0.1511
Echinococcus multilocularis	Niemann Pick C1 protein	0.0138	0.0213	0.0209
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0012	0.0516
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0029	0.0021	0.0096
Brugia malayi	Matrixin family protein	0.0217	0.0353	0.1643
Onchocerca volvulus		0.0053	0.0063	0.0717
Echinococcus multilocularis	microtubule associated protein 2	0.5657	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0094	0.0094
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0053	0.0063	0.0294
Echinococcus granulosus	cysteine protease	0.0027	0.0017	0.0013
Brugia malayi	Matrixin family protein	0.0217	0.0353	0.1643
Brugia malayi	AMP-binding enzyme family protein	0.01	0.0145	0.0676
Loa Loa (eye worm)	hypothetical protein	0.002	0.0005	0.0022
Echinococcus multilocularis	cathepsin L	0.0027	0.0017	0.0013
Onchocerca volvulus		0.007	0.0094	0.1087
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.0094	0.0163
Mycobacterium ulcerans	acyl-CoA synthetase	0.01	0.0145	0.0255
Entamoeba histolytica	hypothetical protein	0.0152	0.0238	1

Activities

Activity type	Activity value	Assay description	Source	Reference
T/C (functional)	= 112	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 200 mg/kg upon intraperitoneal administration	ChEMBL.	4032424
T/C (functional)	= 120	Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 400 mg/kg upon intraperitoneal administration	ChEMBL.	4032424

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.

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External resources for this compound

ChEMBL: CHEMBL540767

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1033918