TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 720.899 | Formula: C49H44N4O2
H donors: 0 H acceptors: 2 LogP: 9.7 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)C1CC(=Nc2c(C1C(C1C(CC(=Nc3c1onc3C)c1ccccc1)c1ccc(cc1)C)c1ccccc1)onc2C)c1ccccc1
InChi: 1S/C49H44N4O2/c1-30-20-24-34(25-21-30)39-28-41(36-14-8-5-9-15-36)50-46-32(3)52-54-48(46)44(39)43(38-18-12-7-13-19-38)45-40(35-26-22-31(2)23-27-35)29-42(37-16-10-6-11-17-37)51-47-33(4)53-55-49(45)47/h5-27,39-40,43-45H,28-29H2,1-4H3
InChiKey: XCDWQLKWPRTLFX-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
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Entamoeba histolytica	cysteine protease, putative	0.0016	0.008	0.0183
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0105	0.0105
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.008	0.0071
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.1495	0.3849
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0417	0.0408
Echinococcus granulosus	cathepsin L cysteine protease	0.0008	0.0013	0.0005
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.1196	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0467	0.3869	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0424	0.0415
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Echinococcus multilocularis	transmembrane protease serine 3	0.0078	0.0601	0.0883
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.008	0.0071
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0096	0.0086
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Entamoeba histolytica	cysteine proteinase 2	0.0008	0.0013	0.0008
Echinococcus multilocularis	cpg binding protein	0.006	0.0444	0.0648
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.02	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0078	0.0601	0.0592
Onchocerca volvulus		0.0078	0.0601	0.3098
Toxoplasma gondii	cathepsin CPL	0.0016	0.008	0.0071
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0164
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.008	0.0071
Onchocerca volvulus		0.0113	0.0893	0.4628
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Onchocerca volvulus		0.0078	0.0601	0.3098
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0333	0.0483
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0068	0.0088
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0185	0.1495	0.1487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.008	0.0183
Onchocerca volvulus		0.0016	0.008	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0983
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0034	0.0025
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1196	1	1
Schistosoma mansoni	cpg binding protein	0.0057	0.0417	0.0407
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Schistosoma mansoni	hypothetical protein	0.0078	0.0601	0.0592
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.02	0.019
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0467	0.3869	0.5759
Echinococcus granulosus	tumor protein p63	0.0773	0.6446	0.9604
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0008	0.0013	0.0003
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0009	0.0009
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0174	0.0426
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1196	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.008	0.0422
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0467	0.3869	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0115	0.0106
Mycobacterium ulcerans	hypothetical protein	0.0078	0.0601	0.0592
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0078	0.0601	0.0592
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0034	0.0064
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.02	0.019
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.02	0.019
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0128	0.1016	0.1016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Trypanosoma cruzi	cysteine protease, putative	0.0008	0.0013	0.0003
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0068	0.0088
Onchocerca volvulus		0.0016	0.008	0.0369
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus granulosus	dnaJ subfamily B	0.0805	0.6711	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0467	0.3869	1
Echinococcus multilocularis	enteropeptidase	0.0078	0.0601	0.0883
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.042	0.0411
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0185	0.1495	0.3849
Leishmania major	cathepsin L-like protease	0.0016	0.008	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0115	0.0631
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.168	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.0417	0.0417
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0008	0.0013	0.0003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0115	0.5
Plasmodium vivax	vivapain-2	0.0016	0.008	0.0071
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.1196	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0357	0.0348
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0009	0.0009
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.008	0.0105
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.008	0.0071
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.008	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0016	0.008	0.0422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0467	0.3869	0.5759
Echinococcus granulosus	Mastin	0.0078	0.0601	0.0883
Schistosoma mansoni	cpg binding protein	0.006	0.0444	0.0435
Entamoeba histolytica	cysteine proteinase, putative	0.0008	0.0013	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0031	0.02	0.1137
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Leishmania major	cathepsin L-like protease	0.0016	0.008	0.0071
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0013	0.0003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0164
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Loa Loa (eye worm)	fibroinase	0.0016	0.008	0.0422
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0009	0.0009
Onchocerca volvulus		0.0016	0.008	0.0369
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0068	0.0088
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.047	0.0461
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0009	0.0009
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0009	0.0009
Plasmodium falciparum	dihydroorotate dehydrogenase	0.1196	1	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.1495	0.3849
Brugia malayi	Trypsin family protein	0.0078	0.0601	0.0592
Onchocerca volvulus		0.0185	0.1495	0.7778
Brugia malayi	Zinc finger, C2H2 type family protein	0.0467	0.3869	0.3863
Brugia malayi	Papain family cysteine protease containing protein	0.0008	0.0013	0.0003
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0013	0.0003
Brugia malayi	Trypsin family protein	0.0078	0.0601	0.0592
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0078	0.0601	0.0883
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.008	0.0369
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.008	0.0071
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0164
Echinococcus granulosus	enteropeptidase	0.0078	0.0601	0.0883
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0801	0.6676	0.9948
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0174	0.0174
Trypanosoma cruzi	cysteine proteinase, putative	0.0008	0.0013	0.0003
Plasmodium vivax	vivapain-1	0.0008	0.0013	0.0003
Schistosoma mansoni	cpg binding protein	0.006	0.0444	0.0435
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.008	0.0183
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0009	0.0009
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Brugia malayi	CXXC zinc finger family protein	0.0057	0.0417	0.0407
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.008	0.0105
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0174	0.0164
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0333	0.0483
Echinococcus multilocularis	cysteine protease	0.0016	0.008	0.0105
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.02	0.019
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Echinococcus multilocularis	microtubule associated protein 2	0.0774	0.6456	0.9619
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.02	0.019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0105	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0893	0.529
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.008	0.0369
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0009	0.0009
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0034	0.0025
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0467	0.3869	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0164
Trichomonas vaginalis	helicase, putative	0.0013	0.0049	0.0102
Loa Loa (eye worm)	trypsin family protein	0.0078	0.0601	0.3541
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.1495	0.3849
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0417	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0983
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0333	0.0324
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0078	0.0601	0.0883
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0164
Onchocerca volvulus		0.0016	0.008	0.0369
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Onchocerca volvulus		0.0235	0.1919	1
Schistosoma mansoni	microtubule-associated protein tau	0.0774	0.6456	0.6453
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0034	0.0064
Brugia malayi	Papain family cysteine protease containing protein	0.0008	0.0013	0.0003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0057	0.0417	0.2436
Onchocerca volvulus		0.0016	0.008	0.0369
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0049	0.0102
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0174	0.0164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0174	0.0164
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.008	0.0105
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.1196	1	0.5
Leishmania major	cathepsin L-like protease	0.0063	0.047	0.0461
Loa Loa (eye worm)	ctsf protein	0.0016	0.008	0.0422
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0068	0.0088
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0008	0.0013	0.0008
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0121	0.0959	0.095
Onchocerca volvulus		0.0057	0.0417	0.2132
Onchocerca volvulus		0.0011	0.0034	0.0129
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.008	0.0071
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.008	0.0105
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.008	0.0071
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.018	0.0254
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0417	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus granulosus	cathepsin L	0.0008	0.0013	0.0005
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0009	0.0009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus multilocularis	cysteine protease	0.0016	0.008	0.0105
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0008	0.0013	0.0003
Onchocerca volvulus		0.0078	0.0601	0.3098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.1495	0.3849
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0185	0.1495	0.3849
Schistosoma mansoni	hypothetical protein	0.0078	0.0601	0.0592
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Onchocerca volvulus		0.0012	0.0041	0.0168
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0185	0.1495	0.3849
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0467	0.3869	0.3863
Leishmania major	hypothetical protein, conserved	0.0057	0.042	0.0411
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0034	0.0064
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0008	0.0013	0.0008
Echinococcus granulosus	transmembrane protease serine 3	0.0078	0.0601	0.0883
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.047	0.0461
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0467	0.3869	0.5759
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0417	0.0607
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.1196	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0174	0.0164
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0174	0.0164
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0333	0.0324
Echinococcus multilocularis	cathepsin L	0.0008	0.0013	0.0005
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0185	0.1495	0.889
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0174	0.0164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0164
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0417	0.0607
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.1196	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0008	0.0013	0.0008
Echinococcus granulosus	glycoprotein Antigen 5	0.0078	0.0601	0.0883
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0333	0.0483
Leishmania major	cathepsin L-like protease	0.0016	0.008	0.0071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0049	0.0102
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.1919	0.4948
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0185	0.1495	0.3849
Brugia malayi	Pre-SET motif family protein	0.0207	0.168	0.1672
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.047	0.0461
Brugia malayi	Pre-SET motif family protein	0.0031	0.02	0.019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0078	0.0601	0.0883
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0467	0.3869	0.5759
Onchocerca volvulus		0.0016	0.008	0.0369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.008	0.0183
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0467	0.3869	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0417	0.0408
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Echinococcus granulosus	microtubule associated protein 2	0.0774	0.6456	0.9619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0333	0.0324
Entamoeba histolytica	cysteine proteinase 1, putative	0.0008	0.0013	0.0008
Plasmodium vivax	vivapain-2	0.0016	0.008	0.0071
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.042	0.0411
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0164
Leishmania major	cathepsin L-like protease	0.0063	0.047	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0147
Trypanosoma cruzi	cysteine proteinase, putative	0.0008	0.0013	0.0003
Echinococcus multilocularis	glycoprotein Antigen 5	0.0078	0.0601	0.0883
Onchocerca volvulus		0.0078	0.0601	0.3098
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0883
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0105	0.0105
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0105	0.0105
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0174	0.0174
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0333	0.0324
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.008	0.0422
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0185	0.1495	0.1487
Loa Loa (eye worm)	histone methyltransferase	0.0019	0.0097	0.0526
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.0097	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0147
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0009	0.0009
Loa Loa (eye worm)	cysteine protease	0.0016	0.008	0.0422
Plasmodium vivax	unspecified product	0.0008	0.0013	0.0003
Trypanosoma cruzi	hypothetical protein, conserved	0.0057	0.042	0.0411
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0049	0.0102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0983
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0174	0.0426
Plasmodium vivax	vivapain-3	0.0008	0.0013	0.0003
Leishmania major	cathepsin L-like protease	0.0016	0.008	0.0071
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.008	0.0105
Onchocerca volvulus		0.0078	0.0601	0.3098
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0385	0.2245
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0467	0.3869	1
Brugia malayi	hypothetical protein	0.0078	0.0601	0.0592
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.02	0.0284
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0115	0.0106
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.1196	1	1
Onchocerca volvulus		0.0031	0.02	0.0995
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0185	0.1495	0.5
Echinococcus granulosus	cathepsin l1	0.0016	0.008	0.0105
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.008	0.0183
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0034	0.0025
Brugia malayi	cathepsin L-like precursor	0.0011	0.0034	0.0025
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Onchocerca volvulus		0.0016	0.008	0.0369
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0174	0.0426
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0333	0.0483
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0115	0.0631
Onchocerca volvulus		0.0028	0.0174	0.086
Echinococcus multilocularis	Mastin	0.0078	0.0601	0.0883
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0805	0.6711	0.6708
Leishmania major	dihydroorotate dehydrogenase	0.1196	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Entamoeba histolytica	cysteine proteinase, putative	0.0008	0.0013	0.0008
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0115	0.0115
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.008	0.0105
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.0097	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0034	0.0147
Entamoeba histolytica	cysteine proteinase, putative	0.0008	0.0013	0.0008
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.008	0.0369
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0008	0.0013	0.0003
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0108	0.0851	0.0842
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0333	0.1936
Leishmania major	cathepsin L-like protease	0.0016	0.008	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0049	0.0102
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.042	0.1064
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0009	0.0009
Leishmania major	cathepsin L-like protease	0.0063	0.047	0.0461
Brugia malayi	Trypsin-like protease protein 5	0.0078	0.0601	0.0592
Echinococcus multilocularis	tumor protein p63	0.0773	0.6446	0.9604
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.008	0.0183
Plasmodium vivax	SET domain protein, putative	0.0031	0.02	0.019
Trypanosoma cruzi	cysteine peptidase, putative	0.0008	0.0013	0.0003
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1196	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0078	0.0601	0.0592
Brugia malayi	Trypsin family protein	0.0078	0.0601	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0115	0.0106
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0057	0.042	0.1064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.008	0.0183
Echinococcus granulosus	cpg binding protein	0.006	0.0444	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0115	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0115	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0115	0.0631
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0164
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0417	0.0408
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0467	0.3869	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1196	1	1
Entamoeba histolytica	cysteine protease, putative	0.0008	0.0013	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0164
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0018	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.047	0.0461
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.1196	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0805	0.6711	1
Echinococcus granulosus	cathepsin l1	0.0011	0.0034	0.0037
Brugia malayi	Cathepsin L-like precursor	0.0016	0.008	0.0071
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0078	0.0601	0.0592
Onchocerca volvulus		0.0078	0.0601	0.3098
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0034	0.0025
Schistosoma mansoni	cellular tumor antigen P53	0.0113	0.0893	0.0885
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0068	0.0059
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0008	0.0013	0.0003
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.02	0.0284
Brugia malayi	Trypsin family protein	0.0078	0.0601	0.0592
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0174	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0601	0.3541
Schistosoma mansoni	dihydroorotate dehydrogenase	0.1196	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461
Echinococcus granulosus	cysteine protease	0.0008	0.0013	0.0005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.047	0.0461

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 50.1 ug ml-1	Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay	ChEMBL.	22153344
IC50 (functional)	= 53.3 ug ml-1	Cytotoxicity against human HeLa cells after 48 hrs by MTT assay	ChEMBL.	22153344

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: CHEMBL1940071

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1598125