TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 442.978 | Formula: C25H31ClN2O3
H donors: 1 H acceptors: 1 LogP: 4.83 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCNCc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)cccc1)(C)C)CC.Cl
InChi: 1S/C25H30N2O3.ClH/c1-5-27(6-2)14-13-26-16-19-17-11-12-25(3,4)30-21(17)15-22-23(19)24(28)18-9-7-8-10-20(18)29-22;/h7-12,15,26H,5-6,13-14,16H2,1-4H3;1H
InChiKey: ZOVAEDWOBKYGPS-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
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0039	0.028	0.0344
Brugia malayi	Muscleblind-like protein	0.0172	0.1558	0.1558
Trypanosoma cruzi	major cysteine proteinase, putative	0.0636	0.6028	0.7832
Schistosoma mansoni	cathepsin C	0.0039	0.028	0.0344
Toxoplasma gondii	ABC1 family protein	0.0041	0.0302	0.1544
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0302	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Brugia malayi	Cathepsin L-like precursor	0.007	0.0579	0.0579
Leishmania major	cathepsin L-like protease	0.081	0.7696	1
Echinococcus multilocularis	ryanodine receptor 44f	0.0381	0.3568	0.4726
Brugia malayi	cathepsin F-like cysteine proteinase	0.0039	0.028	0.028
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0213	0.1948	1
Echinococcus multilocularis	stromal cell derived factor 2	0.0108	0.0938	0.1241
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0039	0.028	0.1434
Echinococcus granulosus	stromal cell derived factor 2	0.0108	0.0938	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Echinococcus granulosus	cathepsin b	0.0039	0.028	0.037
Brugia malayi	Ets-domain containing protein	0.007	0.0579	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0173	0.1571	0.2041
Schistosoma mansoni	cathepsin S (C01 family)	0.0039	0.028	0.0344
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.0605	0.0605
Mycobacterium ulcerans	lipase LipD	0.0041	0.0302	0.5
Brugia malayi	cathepsin F-like cysteine proteinase	0.007	0.0579	0.0579
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.1558	0.2063
Brugia malayi	Ets-domain containing protein	0.001	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.1272	0.6527
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.001	0.0001	0.0001
Onchocerca volvulus		0.0041	0.0302	0.05
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0686	0.6508	0.6508
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0302	0.0391
Plasmodium falciparum	telomerase reverse transcriptase	0.0173	0.1571	0.774
Echinococcus multilocularis	cysteine protease	0.0213	0.1948	0.258
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0302	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.028	0.0441
Onchocerca volvulus		0.0213	0.1948	0.324
Echinococcus granulosus	tar DNA binding protein	0.0073	0.0605	0.08
Brugia malayi	DNA-binding protein D-ETS-3	0.001	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Giardia lamblia	Telomerase catalytic subunit	0.0173	0.1571	1
Loa Loa (eye worm)	ryanodine receptor	0.0185	0.1686	0.2661
Trypanosoma cruzi	cysteine peptidase, putative	0.0109	0.0956	0.1242
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0109	0.0956	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0854	0.8118	1
Echinococcus multilocularis	cathepsin L	0.0109	0.0956	0.1266
Loa Loa (eye worm)	hypothetical protein	0.007	0.0579	0.0913
Plasmodium vivax	vivapain-2	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0039	0.028	0.1434
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0001	0.0001
Brugia malayi	voltage-dependent calcium channel	0.001	0.0001	0.0001
Brugia malayi	Voltage-gated calcium channel, alpha subunit	0.001	0.0001	0.0001
Echinococcus granulosus	muscleblind protein	0.0172	0.1558	0.2063
Schistosoma mansoni	hypothetical protein	0.0471	0.4434	0.5462
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0213	0.1948	0.3074
Echinococcus granulosus	microtubule associated protein 2	0.0794	0.7548	1
Brugia malayi	cathepsin L precursor	0.0039	0.028	0.028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0109	0.0956	0.4907
Toxoplasma gondii	cathepsin CPC1	0.0039	0.028	0.1434
Brugia malayi	Telomerase reverse transcriptase	0.0461	0.4343	0.4343
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.0605	0.0744
Trichomonas vaginalis	esterase, putative	0.0041	0.0302	0.1544
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Onchocerca volvulus		0.0213	0.1948	0.324
Brugia malayi	Papain family cysteine protease containing protein	0.0109	0.0956	0.0956
Entamoeba histolytica	cysteine proteinase, putative	0.0109	0.0956	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Leishmania major	cathepsin L-like protease	0.081	0.7696	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Echinococcus multilocularis	cysteine protease	0.0213	0.1948	0.258
Echinococcus multilocularis	cathepsin L cysteine protease	0.0213	0.1948	0.258
Trypanosoma cruzi	cysteine proteinase, putative	0.0109	0.0956	0.1242
Onchocerca volvulus		0.0108	0.0938	0.1558
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.0605	0.0744
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0302	0.0399
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Schistosoma mansoni	microtubule-associated protein tau	0.0794	0.7548	0.9297
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.001	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0109	0.0956	0.1266
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0039	0.028	0.0344
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0213	0.1948	0.258
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.0605	0.0744
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0302	0.0475
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0302	0.0475
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.028	0.1434
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Brugia malayi	beta-lactamase family protein	0.0041	0.0302	0.0302
Onchocerca volvulus		0.0142	0.1272	0.2115
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.1948	1
Leishmania major	hypothetical protein, conserved	0.0393	0.3689	0.4793
Loa Loa (eye worm)	hypothetical protein	0.006	0.0481	0.0758
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0109	0.0956	0.1242
Onchocerca volvulus	Cathepsin F homolog	0.0213	0.1948	0.324
Trypanosoma cruzi	cysteine protease, putative	0.0109	0.0956	0.1242
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.001	0.0001	0.0001
Leishmania major	hypothetical protein, conserved	0.0041	0.0302	0.0391
Entamoeba histolytica	cysteine proteinase 2	0.0109	0.0956	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.028	0.028
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0039	0.028	0.0441
Plasmodium vivax	vivapain-3	0.0109	0.0956	0.4054
Brugia malayi	Transient-receptor-potential like protein	0.001	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0039	0.028	0.1434
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0213	0.1948	0.258
Echinococcus multilocularis	muscleblind protein	0.0172	0.1558	0.2063
Onchocerca volvulus		0.0213	0.1948	0.324
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1558	0.2458
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Schistosoma mansoni	cathepsin F (C01 family)	0.0213	0.1948	0.2399
Onchocerca volvulus	Cathepsin L homolog	0.0213	0.1948	0.324
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Onchocerca volvulus		0.0213	0.1948	0.324
Loa Loa (eye worm)	fli-1 protein	0.0213	0.1955	0.3085
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0109	0.0956	0.4054
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog	0.001	0.0001	0.0001
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0302	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.007	0.0579	0.0579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0579	0.0913
Echinococcus multilocularis	cpg binding protein	0.0035	0.0239	0.0316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0109	0.0956	0.1242
Plasmodium vivax	vivapain-1	0.0109	0.0956	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.028	0.028
Leishmania major	cathepsin L-like protease	0.081	0.7696	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.028	0.1434
Onchocerca volvulus		0.0213	0.1948	0.324
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.007	0.0579	0.0913
Entamoeba histolytica	cysteine proteinase, putative	0.0109	0.0956	0.4054
Schistosoma mansoni	stromal cell-derived factor 2 precursor-like protein	0.0108	0.0938	0.1154
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Trypanosoma cruzi	cysteine peptidase, putative	0.081	0.7696	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit	0.001	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0039	0.028	0.1434
Echinococcus granulosus	cathepsin b	0.0039	0.028	0.037
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Echinococcus granulosus	cathepsin l1	0.0213	0.1948	0.258
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.001	0.0001	0.0001
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.001	0.0001	0.0001
Brugia malayi	hypothetical protein	0.001	0.0001	0.0001
Trypanosoma cruzi	cysteine peptidase, putative	0.0213	0.1948	0.253
Loa Loa (eye worm)	RNA binding protein	0.0073	0.0605	0.0953
Brugia malayi	Fli-1 protein	0.0213	0.1955	0.1955
Schistosoma mansoni	cathepsin s	0.007	0.0579	0.0712
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0265	0.2451	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.028	0.1434
Trypanosoma cruzi	cysteine peptidase, putative	0.081	0.7696	1
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0558	0.5277	0.65
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1948	0.3074
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Brugia malayi	Cathepsin L-like precursor	0.0142	0.1272	0.1272
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0173	0.1571	0.774
Brugia malayi	RNA binding protein	0.0073	0.0605	0.0605
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Loa Loa (eye worm)	cathepsin B	0.0039	0.028	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0558	0.5277	0.8329
Schistosoma mansoni	cpg binding protein	0.0035	0.0239	0.0294
Echinococcus multilocularis	cathepsin b	0.0039	0.028	0.037
Brugia malayi	olfactory channel protein osm-9	0.001	0.0001	0.0001
Schistosoma mansoni	cathepsin F (C01 family)	0.0213	0.1948	0.2399
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0039	0.028	0.1434
Echinococcus multilocularis	cathepsin L	0.0039	0.028	0.037
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.001	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0491	0.4626	0.7302
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0302	0.1544
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Echinococcus granulosus	GA binding protein alpha chain	0.007	0.0579	0.0766
Brugia malayi	cathepsin B-like cysteine proteinase	0.0039	0.028	0.028
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.0605	0.0953
Schistosoma mansoni	gabp alpha	0.007	0.0579	0.0712
Echinococcus granulosus	cpg binding protein	0.0035	0.0239	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Loa Loa (eye worm)	hypothetical protein	0.007	0.0579	0.0913
Leishmania major	cathepsin L-like protease	0.0213	0.1948	0.253
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0039	0.028	0.1434
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Echinococcus multilocularis	dnaJ subfamily B	0.0471	0.4434	0.5874
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.028	0.1434
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.001	0.0001	0.0001
Echinococcus multilocularis	cathepsin b	0.0039	0.028	0.037
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.028	0.028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0039	0.028	0.1434
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0221	0.0348
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0302	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0109	0.0956	0.4907
Plasmodium vivax	unspecified product	0.0109	0.0956	0.4054
Schistosoma mansoni	ryanodine receptor related	0.0686	0.6508	0.8016
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1272	0.2007
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.0605	0.08
Brugia malayi	TAR-binding protein	0.0073	0.0605	0.0605
Loa Loa (eye worm)	cysteine protease	0.0213	0.1948	0.3074
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0213	0.1948	0.3074
Echinococcus granulosus	cathepsin L	0.0039	0.028	0.037
Echinococcus multilocularis	microtubule associated protein 2	0.0794	0.7548	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0213	0.1948	0.258
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0039	0.028	0.0363
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Onchocerca volvulus		0.0213	0.1948	0.324
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0221	0.0271
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0001	0.0001
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0302	0.5
Brugia malayi	fibroinase precursor	0.0039	0.028	0.028
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Onchocerca volvulus		0.0033	0.0221	0.0366
Leishmania major	cathepsin L-like protease	0.0213	0.1948	0.253
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0039	0.028	0.1434
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Echinococcus granulosus	ryanodine receptor 44f	0.0491	0.4626	0.6128
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.0579	0.0751
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0039	0.028	0.0344
Schistosoma mansoni	cpg binding protein	0.0035	0.0239	0.0294
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0001	0.0001
Brugia malayi	Ets-domain containing protein	0.007	0.0579	0.0579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1558	0.2458
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Trypanosoma cruzi	cysteine peptidase, putative	0.081	0.7696	1
Toxoplasma gondii	RNA-directed DNA polymerase	0.0173	0.1571	0.8064
Brugia malayi	ion channel NompC	0.001	0.0001	0.0001
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.0605	0.0744
Leishmania major	cathepsin L-like protease	0.0213	0.1948	0.253
Schistosoma mansoni	cathepsin F (C01 family)	0.0142	0.1272	0.1566
Brugia malayi	beta-lactamase family protein	0.0041	0.0302	0.0302
Echinococcus granulosus	cathepsin l1	0.0142	0.1272	0.1684
Echinococcus multilocularis	GA binding protein alpha chain	0.007	0.0579	0.0766
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0302	0.0399
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0039	0.028	0.028
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.001	0.0001	0.0001
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.0578	0.0711
Trichomonas vaginalis	mannosyltransferase 1, putative	0.0108	0.0938	0.481
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Brugia malayi	transcription factor E74 isoform	0.001	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0302	0.0371
Brugia malayi	Cathepsin L-like precursor	0.0142	0.1272	0.1272
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0579	0.5473	0.7111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.1272	0.6527
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Onchocerca volvulus		0.0041	0.0302	0.05
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0039	0.028	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1272	0.2007
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0142	0.1272	0.1272
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Toxoplasma gondii	cathepsin B	0.0039	0.028	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0668	0.6335	1
Loa Loa (eye worm)	hypothetical protein	0.0656	0.6213	0.9808
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0302	0.1544
Brugia malayi	beta-lactamase	0.0041	0.0302	0.0302
Entamoeba histolytica	cysteine protease, putative	0.0213	0.1948	1
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.0605	0.0744
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Echinococcus granulosus	cathepsin L	0.0109	0.0956	0.1266
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0302	0.5
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0039	0.028	0.1434
Entamoeba histolytica	MIR domain protein	0.0108	0.0938	0.3941
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0302	0.0128
Entamoeba histolytica	cysteine proteinase, putative	0.0109	0.0956	0.4054
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0302	0.1544
Leishmania major	cysteine peptidase A (CPA)	0.0213	0.1948	0.253
Schistosoma mansoni	cathepsin B (C01 family)	0.0039	0.028	0.0344
Trypanosoma brucei	telomerase reverse transcriptase	0.0173	0.1571	0.2041
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0039	0.028	0.1434
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0213	0.1948	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0302	0.0371
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0039	0.028	0.0363
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0579	0.0751
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0506	0.2591
Brugia malayi	Cyclic-nucleotide gated cation channel	0.001	0.0001	0.0001
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0039	0.028	0.0363
Brugia malayi	Papain family cysteine protease containing protein	0.0109	0.0956	0.0956
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0109	0.0956	0.1242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0213	0.1948	1
Onchocerca volvulus		0.0039	0.028	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0302	0.0391
Leishmania major	cathepsin L-like protease	0.0213	0.1948	0.253
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0109	0.0956	0.1177
Entamoeba histolytica	cysteine proteinase, putative	0.0213	0.1948	1
Brugia malayi	cathepsin L-like precursor	0.0142	0.1272	0.1272
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Trypanosoma cruzi	major cysteine proteinase, putative	0.0039	0.028	0.0363
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0039	0.028	0.0363
Onchocerca volvulus		0.0041	0.0302	0.05
Echinococcus granulosus	ryanodine receptor 44f	0.0381	0.3568	0.4726
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Toxoplasma gondii	cathepsin CPL	0.0213	0.1948	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0039	0.028	0.028
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.001	0.0001	0.0001
Brugia malayi	MIR domain containing protein	0.0108	0.0938	0.0938
Echinococcus multilocularis	cathepsin L cysteine protease	0.0213	0.1948	0.258
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.007	0.0579	0.0912
Loa Loa (eye worm)	fibroinase	0.0213	0.1948	0.3074
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0213	0.1948	0.258
Onchocerca volvulus		0.0213	0.1948	0.324
Echinococcus granulosus	dnaJ subfamily B	0.0471	0.4434	0.5874
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0739	0.702	0.9121
Leishmania major	telomerase reverse transcriptase, putative	0.0173	0.1571	0.2041
Plasmodium vivax	vivapain-2	0.0213	0.1948	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0302	0.0302
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0185	0.1686	0.2076
Echinococcus multilocularis	ryanodine receptor 44f	0.0491	0.4626	0.6128
Loa Loa (eye worm)	hypothetical protein	0.0039	0.028	0.0441
Trypanosoma cruzi	cruzipain precursor, putative	0.081	0.7696	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0213	0.1948	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0302	0.1544
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Brugia malayi	Cathepsin L-like precursor	0.0213	0.1948	0.1948
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0039	0.028	0.0441
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0635	0.6011	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0001	0.0001
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Toxoplasma gondii	cathepsin CPC2	0.0039	0.028	0.1434
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0109	0.0956	0.1177
Brugia malayi	Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog	0.001	0.0001	0.0001
Entamoeba histolytica	cysteine proteinase, putative	0.0109	0.0956	0.4054
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0039	0.028	0.0344
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0173	0.1571	0.2041
Loa Loa (eye worm)	MIR domain-containing protein	0.0108	0.0938	0.1479
Leishmania major	cathepsin L-like protease	0.0213	0.1948	0.253
Onchocerca volvulus	Cathepsin L homolog	0.0039	0.028	0.0465
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0213	0.1948	1
Onchocerca volvulus	Cathepsin L homolog	0.0213	0.1948	0.324
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1272	0.2007
Schistosoma mansoni	ets-related	0.0213	0.1955	0.2408
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0221	0.0221
Brugia malayi	cathepsin L-like cysteine proteinase	0.0039	0.028	0.028
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0039	0.028	0.0344
Entamoeba histolytica	cysteine proteinase, putative	0.0142	0.1272	0.5946
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0302	0.0391
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.0605	0.0953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0039	0.028	0.1434
Trypanosoma cruzi	cysteine proteinase, putative	0.0109	0.0956	0.1242
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0039	0.028	0.028
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0302	0.0475
Loa Loa (eye worm)	ctsf protein	0.0213	0.1948	0.3074
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0302	0.1544
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.081	0.7696	1
Brugia malayi	Papain family cysteine protease containing protein	0.0213	0.1948	0.1948
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0039	0.028	0.1434
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0109	0.0956	0.1177
Echinococcus granulosus	cysteine protease	0.0109	0.0956	0.1266
Entamoeba histolytica	cysteine protease, putative	0.0109	0.0956	0.4054
Plasmodium vivax	unspecified product	0.007	0.0579	0.1791
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0579	0.5473	0.7111
Brugia malayi	cation channel family protein	0.001	0.0001	0.0001

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 2 uM	Inhibitory concentration of compound against proliferation of colon carcinoma HT-29 cell line	ChEMBL.	12031316
IC50 (functional)	= 2 uM	Inhibitory concentration of compound against proliferation of murine leukemia L1210 cell line	ChEMBL.	12031316
IC50 (functional)	= 8 uM	Inhibitory concentration of compound against proliferation of lung carcinoma A549 cell line	ChEMBL.	12031316

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12031316
Mus musculus	ChEMBL23	12031316

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: CHEMBL557620

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1055198