TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.06 | Formula: C30H34ClN3O6
H donors: 1 H acceptors: 3 LogP: 7.28 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1OCCN(C(C)C)C(C)C)N=C(C=Cc1ccc(c(c1)N(=O)=O)Oc1ccccc1Cl)O
InChi: 1S/C30H34ClN3O6/c1-20(2)33(21(3)4)16-17-39-29-19-23(12-14-28(29)38-5)32-30(35)15-11-22-10-13-27(25(18-22)34(36)37)40-26-9-7-6-8-24(26)31/h6-15,18-21H,16-17H2,1-5H3,(H,32,35)
InChiKey: CEZBTMCYYZCUBQ-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
Entamoeba histolytica	aminopeptidase, putative	0.0074	0.0139	0.5133
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0028	0.0027	0.0027
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.1927	0.4641	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0304	0.0908
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0074	0.0139	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1093	0.3263
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0028	0.0027	0.0057
Onchocerca volvulus		0.0074	0.0139	0.0636
Leishmania major	hypothetical protein, conserved	0.0032	0.0036	0.0526
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0169	0.037	0.1103
Brugia malayi	Pre-SET motif family protein	0.0095	0.0189	0.1168
Entamoeba histolytica	hypothetical protein	0.0118	0.0245	1
Brugia malayi	hypothetical protein	0.0053	0.0088	0.0544
Brugia malayi	hypothetical protein	0.0118	0.0245	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0088	0.0263
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0074	0.0138	0.0412
Onchocerca volvulus		0.0074	0.0139	0.0636
Brugia malayi	Peptidase family M1 containing protein	0.0074	0.0139	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0114	0.0341
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0028	0.0027	0.0385
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.0304	0.0908
Onchocerca volvulus		0.0169	0.037	0.1948
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0125	0.0263	0.0784
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0047	0.0073	0.0219
Brugia malayi	latrophilin 2 splice variant baaae	0.0467	0.1093	0.6755
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0154	0.0461
Schistosoma mansoni	transcription factor LCR-F1	0.0118	0.0245	0.0731
Brugia malayi	PHD-finger family protein	0.0052	0.0085	0.0527
Brugia malayi	beta-lactamase family protein	0.0302	0.0691	0.4271
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Brugia malayi	Bromodomain containing protein	0.0157	0.034	0.2103
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0096	0.0191	0.2467
Echinococcus granulosus	zinc finger protein	0.0041	0.0058	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0316	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.0191	0.2467
Trypanosoma brucei	ISWI complex protein	0.0032	0.0036	0.0526
Echinococcus multilocularis	aminopeptidase N	0.0074	0.0139	0.0139
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0074	0.0139	0.0636
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0096	0.0191	0.0411
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0095	0.0189	0.0564
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0074	0.0139	0.2006
Mycobacterium ulcerans	esterase/lipase LipP	0.0302	0.0691	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0302	0.0691	0.149
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.0191	0.2757
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.0191	0.7512
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0027	0.0079
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0125	0.0263	0.0263
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.1396	0.3351	0.3351
Entamoeba histolytica	acyl-coA synthetase, putative	0.0096	0.0191	0.7512
Onchocerca volvulus		0.0095	0.0189	0.0922
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0096	0.0191	0.2467
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0088	0.1274
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.0191	0.2757
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.0191	0.1177
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0126	0.0565
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0131	0.0276	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0132	0.0394
Schistosoma mansoni	hypothetical protein	0.0216	0.0484	0.1444
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0302	0.0691	0.4271
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0216	0.0484	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0027	0.0079
Trypanosoma cruzi	hypothetical protein, conserved	0.0302	0.0691	1
Schistosoma mansoni	zinc finger protein	0.0041	0.0058	0.0174
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0131	0.0276	0.0276
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.0304	0.0304
Mycobacterium tuberculosis	Conserved protein	0.0302	0.0691	0.149
Echinococcus granulosus	histone lysine methyltransferase setb	0.0131	0.0276	0.0823
Onchocerca volvulus		0.0302	0.0691	0.3774
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0169	0.037	0.1103
Trypanosoma brucei	aminopeptidase, putative	0.0074	0.0139	0.2006
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0139
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0027	0.0164
Schistosoma mansoni	hypothetical protein	0.0216	0.0484	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0132	0.0394
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0028	0.0027	0.0079
Trypanosoma cruzi	transcription factor btf3, putative	0.0109	0.0223	0.3232
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0096	0.0191	0.2467
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0074	0.0139	0.0636
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Trichomonas vaginalis	glucosylceramidase, putative	0.0192	0.0424	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0319	0.0951
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0028	0.0027	0.0057
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0088	0.3943
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0683	0.1619	0.4831
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0028	0.0027	0.0057
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0095	0.0189	0.0189
Trypanosoma cruzi	ISWI complex protein	0.0032	0.0036	0.0526
Echinococcus granulosus	geminin	0.1066	0.2548	0.7604
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0139
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0166	0.0495
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0118	0.0245	0.0245
Mycobacterium tuberculosis	Probable lipase LipD	0.0302	0.0691	0.149
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.0138	0.0412
Onchocerca volvulus		0.0096	0.0191	0.0931
Trypanosoma cruzi	aminopeptidase, putative	0.0074	0.0139	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0191	0.0569
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0277	0.0632	0.3904
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0154	0.0461
Toxoplasma gondii	ABC1 family protein	0.0302	0.0691	1
Trichomonas vaginalis	set domain proteins, putative	0.0753	0.1788	1
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0223	0.1118
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0027	0.0164
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0169	0.037	0.1103
Echinococcus multilocularis	GPCR, family 2	0.0216	0.0484	0.0484
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0075	0.0141	0.0141
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0074	0.0139	0.6206
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0074	0.0139	0.0414
Trypanosoma cruzi	hypothetical protein, conserved	0.0302	0.0691	1
Trypanosoma brucei	transcription factor BTF3, putative	0.0109	0.0223	0.3232
Echinococcus granulosus	fetal alzheimer antigen falz	0.0047	0.0073	0.0219
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Trypanosoma brucei	Aminopeptidase M1, putative	0.0074	0.0139	0.2006
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0122	0.0264
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.0191	0.2467
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0074	0.0139	0.0414
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0028	0.0027	0.0057
Trichomonas vaginalis	D-aminoacylase, putative	0.0302	0.0691	0.3774
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0096	0.0191	0.2467
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0096	0.0191	0.2467
Plasmodium falciparum	basic transcription factor 3b, putative	0.0109	0.0223	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0277	0.0632	0.1886
Toxoplasma gondii	aminopeptidase N, putative	0.0074	0.0139	0.2006
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.0027	0.0057
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.001	0.0031
Schistosoma mansoni	bromodomain containing protein	0.0133	0.0281	0.0838
Plasmodium vivax	hypothetical protein, conserved	0.0302	0.0691	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0088	0.1274
Echinococcus granulosus	beta LACTamase domain containing family member	0.0302	0.0691	0.2064
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0028	0.0027	0.0057
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0074	0.0139	0.2006
Echinococcus granulosus	leukotriene A 4 hydrolase	0.1396	0.3351	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0074	0.0139	0.2006
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0216	0.0484	0.1444
Schistosoma mansoni	zinc finger protein	0.0032	0.0036	0.0109
Toxoplasma gondii	aminopeptidase N protein	0.0074	0.0139	0.2006
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0216	0.0484	0.0484
Onchocerca volvulus	Glucosylceramidase homolog	0.0182	0.04	0.2122
Brugia malayi	Peptidase family M1 containing protein	0.0074	0.0139	0.0857
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0302	0.0691	1
Mycobacterium leprae	Probable lipase LipE	0.0302	0.0691	1
Mycobacterium ulcerans	hypothetical protein	0.0302	0.0691	1
Brugia malayi	hypothetical protein	0.0074	0.0139	0.0857
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0095	0.0189	0.0564
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Schistosoma mansoni	hypothetical protein	0.1066	0.2548	0.7604
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0216	0.0484	0.0484
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0028	0.0027	0.0164
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0074	0.0139	0.0414
Schistosoma mansoni	transcription factor btf3	0.0109	0.0223	0.0667
Mycobacterium tuberculosis	Probable hydrolase	0.0302	0.0691	0.149
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0074	0.0139	0.2006
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0017	0.0037
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0027	0.0385
Onchocerca volvulus		0.0074	0.0139	0.0636
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0302	0.0691	0.149
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0304	0.0908
Brugia malayi	hypothetical protein	0.0074	0.0139	0.0857
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.0191	0.2467
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0132	0.0394
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0302	0.0691	0.2064
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0027	0.0079
Mycobacterium ulcerans	hypothetical protein	0.0096	0.0191	0.2467
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0074	0.0139	0.2006
Brugia malayi	Latrophilin receptor protein 2	0.0216	0.0484	0.2989
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0071	0.0132	0.5
Entamoeba histolytica	hypothetical protein	0.0109	0.0223	0.9017
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0074	0.0139	0.6206
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.0191	0.1177
Loa Loa (eye worm)	hypothetical protein	0.0683	0.1619	0.4831
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Entamoeba histolytica	hypothetical protein	0.0118	0.0245	1
Toxoplasma gondii	propionate-CoA ligase	0.0028	0.0027	0.0385
Loa Loa (eye worm)	TATA binding protein associated factor	0.0074	0.0139	0.0414
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0302	0.0691	0.0691
Entamoeba histolytica	transcription factor BTF3, putative	0.0109	0.0223	0.9017
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0096	0.0191	0.7512
Leishmania major	hypothetical protein, conserved	0.0053	0.0088	0.1274
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0071	0.0132	0.0284
Onchocerca volvulus		0.0302	0.0691	0.3774
Schistosoma mansoni	hypothetical protein	0.0467	0.1093	0.3263
Schistosoma mansoni	hypothetical protein	0.1066	0.2548	0.7604
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.0304	0.0908
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0036	0.0045	0.0135
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0074	0.0139	0.2006
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0021	0.001	0.0031
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Mycobacterium tuberculosis	Probable lipase LipE	0.0302	0.0691	0.149
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0074	0.0139	0.2006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0304	0.0908
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Onchocerca volvulus		0.0147	0.0316	0.1641
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0027	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0132	0.0394
Trypanosoma cruzi	aminopeptidase, putative	0.0074	0.0139	0.2006
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0027	0.0057
Loa Loa (eye worm)	ICD-1 protein	0.0109	0.0223	0.0667
Loa Loa (eye worm)	beta-lactamase	0.0302	0.0691	0.2064
Brugia malayi	AMP-binding enzyme family protein	0.0096	0.0191	0.1177
Schistosoma mansoni	hypothetical protein	0.0118	0.0245	0.0731
Entamoeba histolytica	hypothetical protein	0.0118	0.0245	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0139
Mycobacterium ulcerans	beta-lactamase	0.0302	0.0691	1
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0028	0.0027	0.1191
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0024	0.0017	0.0017
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0074	0.0138	0.0138
Brugia malayi	Bromodomain containing protein	0.008	0.0154	0.0948
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.0304	0.0908
Brugia malayi	beta-NAC-like protein	0.0109	0.0223	0.138
Schistosoma mansoni	hypothetical protein	0.0043	0.0064	0.019
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0028	0.0027	0.0164
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0027	0.0385
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0027	0.0164
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Trypanosoma cruzi	ISWI complex protein	0.0032	0.0036	0.0526
Schistosoma mansoni	hypothetical protein	0.0216	0.0484	0.1444
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0139
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0088	0.3943
Loa Loa (eye worm)	pip kinase 2	0.0169	0.037	0.1103
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0021	0.001	0.001
Trichomonas vaginalis	D-aminoacylase, putative	0.0302	0.0691	0.3774
Toxoplasma gondii	NAC domain-containing protein	0.0109	0.0223	0.3232
Echinococcus granulosus	aminopeptidase N	0.0074	0.0139	0.0414
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0047	0.0073	0.0073
Leishmania major	hypothetical protein, conserved	0.0302	0.0691	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0302	0.0691	0.2064
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0122	0.0264
Brugia malayi	Pre-SET motif family protein	0.0662	0.1566	0.9674
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0126	0.0565
Mycobacterium ulcerans	acyl-CoA synthetase	0.0096	0.0191	0.2467
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0074	0.0138	0.0852
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0302	0.0691	0.2064
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0131	0.0276	0.0823
Echinococcus multilocularis	transcription factor btf3	0.0109	0.0223	0.0223
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.1396	0.3351	1
Brugia malayi	hypothetical protein	0.0642	0.1518	0.9378
Loa Loa (eye worm)	hypothetical protein	0.0302	0.0691	0.2064
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0075	0.0141	0.0422
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0683	0.1619	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0191	0.0569
Loa Loa (eye worm)	aminopeptidase N	0.0074	0.0139	0.0414
Loa Loa (eye worm)	bromodomain containing protein	0.0037	0.0048	0.0145
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Mycobacterium ulcerans	aminopeptidase N PepN	0.0074	0.0139	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0176	0.0524
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0024	0.0017	0.005
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0091	0.0181	0.0539
Brugia malayi	beta-lactamase	0.0302	0.0691	0.4271
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0027	0.0079
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0191	0.0569
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0074	0.0139	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0132	0.0394
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0223	0.1118
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0045	0.0135
Schistosoma mansoni	hypothetical protein	0.0024	0.0017	0.005
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Schistosoma mansoni	hypothetical protein	0.0216	0.0484	0.1444
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0074	0.0139	0.2006
Trichomonas vaginalis	D-aminoacylase, putative	0.0302	0.0691	0.3774
Loa Loa (eye worm)	hypothetical protein	0.008	0.0154	0.0459
Mycobacterium leprae	conserved hypothetical protein	0.0302	0.0691	1
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0169	0.037	0.037
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0074	0.0139	0.2006
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0027	0.0057
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0028	0.0027	0.0385
Mycobacterium tuberculosis	Probable esterase LipL	0.0302	0.0691	0.149
Mycobacterium tuberculosis	Conserved protein	0.0302	0.0691	0.149
Leishmania major	4-coumarate:coa ligase-like protein	0.0096	0.0191	0.2757
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0276	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0484	0.1444
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0088	0.1274
Brugia malayi	hypothetical protein	0.0147	0.0316	0.195
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0414
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0122	0.0264
Echinococcus granulosus	GPCR family 2	0.0216	0.0484	0.1444
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.001	0.0031
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.0304	0.188
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0074	0.0139	0.2006
Brugia malayi	Pip kinase protein 2	0.0169	0.037	0.2284
Entamoeba histolytica	hypothetical protein	0.0118	0.0245	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0027	0.0057
Trypanosoma brucei	Aminopeptidase M1, putative	0.0074	0.0139	0.2006
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Brugia malayi	hypothetical protein	0.0034	0.0042	0.026
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0096	0.0191	0.0411
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0088	0.1274
Echinococcus granulosus	transcription factor btf3	0.0109	0.0223	0.0667
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0067	0.0122	0.0264
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0095	0.0189	0.2734
Trichomonas vaginalis	glucosylceramidase, putative	0.0192	0.0424	0.2257
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0027	0.0385
Echinococcus multilocularis	geminin	0.1066	0.2548	0.2548
Plasmodium vivax	basic transcription factor 3b, putative	0.0109	0.0223	0.3232
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0223	0.1118
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0027	0.0385
Brugia malayi	Peptidase family M1 containing protein	0.0074	0.0139	0.0857
Schistosoma mansoni	hypothetical protein	0.0032	0.0036	0.0109
Plasmodium falciparum	acyl-CoA synthetase	0.0071	0.0132	0.5904
Plasmodium vivax	acyl-CoA synthetase, putative	0.0071	0.0132	0.1908
Onchocerca volvulus		0.0753	0.1788	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0302	0.0691	0.3774
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.04	0.2122
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Mycobacterium tuberculosis	Conserved protein	0.0302	0.0691	0.149
Trichomonas vaginalis	penicillin-binding protein, putative	0.0302	0.0691	0.3774
Mycobacterium ulcerans	aminopeptidase N PepN	0.0074	0.0139	0.1686
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0021	0.001	0.0065
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.001	0.0031
Toxoplasma gondii	aminopeptidase n, putative	0.0074	0.0139	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0139	0.0414
Brugia malayi	beta-lactamase family protein	0.0302	0.0691	0.4271
Trichomonas vaginalis	glucosylceramidase, putative	0.0277	0.0632	0.3437
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0028	0.0027	0.0057
Loa Loa (eye worm)	PHD-finger family protein	0.0043	0.0064	0.019
Echinococcus multilocularis	zinc finger protein	0.0041	0.0058	0.0058
Mycobacterium ulcerans	lipase LipD	0.0302	0.0691	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0088	0.1274
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0169	0.037	0.1103
Brugia malayi	TATA binding protein associated factor	0.0074	0.0139	0.0857
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0683	0.1619	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0118	0.0245	0.0731
Trypanosoma cruzi	transcription factor btf3, putative	0.0109	0.0223	0.3232
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0074	0.0139	0.0414
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.0132	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0139	0.0414
Loa Loa (eye worm)	oxidoreductase	0.0028	0.0027	0.0079
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0074	0.0139	0.0636
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0045	0.0135
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0027	0.0164
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0027	0.0385
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0074	0.0139	0.0139
Trichomonas vaginalis	esterase, putative	0.0302	0.0691	0.3774
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0074	0.0139	0.0139
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0662	0.1566	0.4673
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.001	0.001
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0036	0.0045	0.0045
Schistosoma mansoni	acetyl-CoA synthetase	0.0028	0.0027	0.0079
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0216	0.0484	0.2989
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0302	0.0691	0.149
Trypanosoma brucei	hypothetical protein, conserved	0.0302	0.0691	1
Plasmodium vivax	SET domain protein, putative	0.0095	0.0189	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0139	0.0414
Leishmania major	basic transcription factor 3a, putative	0.0109	0.0223	0.3232
Onchocerca volvulus		0.0302	0.0691	0.3774
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.1396	0.3351	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0074	0.0139	0.2006
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0074	0.0139	0.2006
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0216	0.0484	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0021	0.001	0.0031

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition frequency index (IFI) (functional)	= 7.63	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 2 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 31 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 97 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.05	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 599140