TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.385 | Formula: C23H27Cl2N3O2
H donors: 2 H acceptors: 1 LogP: 5.51 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(o1)c1[nH]c2c(c1)cc(c(c2)Cl)Cl)NC1CC(C)(C)N(C(C1)(C)C)C
InChi: 1S/C23H27Cl2N3O2/c1-22(2)11-14(12-23(3,4)28(22)5)26-21(29)20-7-6-19(30-20)18-9-13-8-15(24)16(25)10-17(13)27-18/h6-10,14,27H,11-12H2,1-5H3,(H,26,29)
InChiKey: WBKYETBPSKNNCE-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0248	0.0441
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0106	0.0676	0.1203
Loa Loa (eye worm)	beta-lactamase	0.0106	0.0676	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0159	0.0282
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0034	0.0047
Mycobacterium leprae	conserved hypothetical protein	0.0106	0.0676	0.1053
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0009	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0133	0.0237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0218
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.003	0.0108	0.0183
Brugia malayi	hypothetical protein	0.0019	0.0031	0.0055
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0106	0.0676	0.1253
Echinococcus multilocularis	cysteine protease	0.0017	0.0009	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.004	0.0188	0.0334
Brugia malayi	AMP-binding enzyme family protein	0.004	0.0188	0.0334
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0218	0.0218
Entamoeba histolytica	hypothetical protein	0.0038	0.0166	0.5152
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0159	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0218	0.0218
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.004	0.0188	0.0274
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.004	0.0188	0.0332
Onchocerca volvulus		0.0095	0.0594	0.8772
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.004	0.0188	0.0112
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0158	0.0158
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.004	0.0188	0.0274
Echinococcus multilocularis	survival motor neuron protein 1	0.0465	0.3358	0.3358
Schistosoma mansoni	hypothetical protein	0.0164	0.1109	0.1109
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0159	0.0282
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0091	0.0101
Mycobacterium tuberculosis	Probable lipase LipD	0.0106	0.0676	0.1253
Brugia malayi	MH1 domain containing protein	0.0025	0.0075	0.0133
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0075	0.0075
Echinococcus multilocularis	geminin	0.0164	0.1109	0.1109
Mycobacterium tuberculosis	Probable esterase LipL	0.0106	0.0676	0.1253
Loa Loa (eye worm)	hypothetical protein	0.005	0.0258	0.046
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0218	0.0218
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0009	0.0009
Trichomonas vaginalis	penicillin-binding protein, putative	0.0106	0.0676	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0314	0.0559
Loa Loa (eye worm)	MH2 domain-containing protein	0.0372	0.2667	0.475
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0075	0.0133
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.004	0.0188	0.0332
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0057	0.0314	1
Brugia malayi	MH1 domain containing protein	0.0025	0.0075	0.0133
Mycobacterium ulcerans	acyl-CoA synthetase	0.0057	0.0314	0.0501
Echinococcus granulosus	tumor protein p63	0.0341	0.2432	0.2432
Mycobacterium tuberculosis	Probable lipase LipE	0.0106	0.0676	0.1253
Echinococcus granulosus	geminin	0.0164	0.1109	0.1109
Onchocerca volvulus		0.005	0.0258	0.3736
Loa Loa (eye worm)	hypothetical protein	0.004	0.0188	0.0334
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.004	0.0188	0.0332
Schistosoma mansoni	lipoxygenase	0.0019	0.0031	0.0031
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0159	0.2243
Trichomonas vaginalis	antibiotic synthetase, putative	0.004	0.0188	0.2679
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.004	0.0188	0.0274
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0034	0.0061
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0031	0.0031
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0034	0.0034
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0106	0.0676	0.1203
Schistosoma mansoni	rab6-interacting	0.0019	0.0031	0.0031
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0034	0.0996
Brugia malayi	Doublecortin family protein	0.0019	0.0031	0.0055
Echinococcus granulosus	cathepsin l1	0.0017	0.0009	0.0009
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0265	0.0475
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0737	0.5391	0.5391
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0265	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0009	0.0009
Schistosoma mansoni	Smad4	0.0025	0.0075	0.0075
Entamoeba histolytica	hypothetical protein	0.0038	0.0166	0.5152
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0737	0.5391	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0166	0.5152
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0767	0.5615	1
Mycobacterium ulcerans	hypothetical protein	0.0106	0.0676	0.1149
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0031	0.0031
Mycobacterium ulcerans	hypothetical protein	0.0057	0.0314	0.0501
Mycobacterium tuberculosis	Conserved protein	0.0106	0.0676	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0091	0.0161
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0218	0.0388
Loa Loa (eye worm)	hypothetical protein	0.004	0.0188	0.0334
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0034	0.0382
Brugia malayi	beta-lactamase family protein	0.0106	0.0676	0.1203
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0248	0.0441
Onchocerca volvulus		0.0106	0.0676	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0057	0.0314	0.0355
Leishmania major	cathepsin L-like protease	0.0063	0.0357	0.0655
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.004	0.0188	0.0332
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0034	0.0836
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.004	0.0188	0.5859
Schistosoma mansoni	rab6-interacting	0.0019	0.0031	0.0031
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0293	0.0293
Onchocerca volvulus		0.004	0.0188	0.2679
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.004	0.0188	0.0332
Echinococcus multilocularis	smad	0.0025	0.0075	0.0075
Echinococcus granulosus	beta LACTamase domain containing family member	0.0106	0.0676	0.0676
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0106	0.0676	0.1149
Onchocerca volvulus		0.004	0.0188	0.2679
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0159	0.0278
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.004	0.0188	0.2679
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0031	0.0031
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.004	0.0188	0.0188
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0159	0.0159
Leishmania major	4-coumarate:coa ligase-like protein	0.0057	0.0314	0.0575
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0133	0.0237
Brugia malayi	AMP-binding enzyme family protein	0.0767	0.5615	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0031	0.0055
Schistosoma mansoni	acetyl-CoA synthetase	0.004	0.0188	0.0188
Echinococcus multilocularis	RUN	0.0019	0.0031	0.0031
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0158	0.0281
Leishmania major	fatty acid transporter protein-like protein	0.0726	0.5312	1
Schistosoma mansoni	ap endonuclease	0.002	0.0034	0.0034
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0248	0.0441
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.004	0.0188	0.0274
Schistosoma mansoni	smad	0.0025	0.0075	0.0075
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.004	0.0188	0.0274
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.004	0.0188	0.0188
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0159	0.0159
Loa Loa (eye worm)	inositol-1	0.0037	0.0158	0.0282
Loa Loa (eye worm)	fibroinase	0.0017	0.0009	0.0016
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0075	0.0075
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0034	0.0047
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0265	0.3835
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0057	0.0314	0.0501
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0159	0.0159
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0034	0.0382
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.004	0.0188	0.0332
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0158	0.0158
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0031	0.0031
Brugia malayi	Inositol-1	0.0037	0.0158	0.0282
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.004	0.0188	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0314	0.0559
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0031	0.0859
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0159	0.0159
Onchocerca volvulus		0.0106	0.0676	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0095	0.0594	0.1057
Loa Loa (eye worm)	cysteine protease	0.0017	0.0009	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0091	0.0161
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0293	0.0293
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0726	0.5312	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Schistosoma mansoni	hypothetical protein	0.0019	0.0031	0.0031
Trypanosoma cruzi	hypothetical protein, conserved	0.0106	0.0676	0.1238
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0027	0.0091	0.5
Echinococcus multilocularis	tumor protein p63	0.0341	0.2432	0.2432
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0265	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Entamoeba histolytica	hypothetical protein	0.0038	0.0166	0.5152
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0057	0.0314	0.057
Schistosoma mansoni	hypothetical protein	0.0023	0.0055	0.0055
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0106	0.0676	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0314	0.0559
Trypanosoma cruzi	hypothetical protein, conserved	0.0106	0.0676	0.1238
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0034	0.0382
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0009	0.0009
Leishmania major	acetyl-CoA synthetase, putative	0.004	0.0188	0.0337
Brugia malayi	AMP-binding enzyme family protein	0.0057	0.0314	0.0559
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0158	0.0277
Brugia malayi	MH2 domain containing protein	0.0025	0.0075	0.0133
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0075	0.0075
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0106	0.0676	0.0676
Leishmania major	cathepsin L-like protease	0.0063	0.0357	0.0655
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0075	0.0133
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Leishmania major	cathepsin L-like protease	0.0063	0.0357	0.0655
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0218
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0159	0.2243
Toxoplasma gondii	ABC1 family protein	0.0106	0.0676	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0055	0.0055
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0158	0.2238
Toxoplasma gondii	exonuclease III APE	0.002	0.0034	0.0382
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0057	0.0314	0.0501
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0316	0.057
Mycobacterium ulcerans	acetyl-CoA synthetase	0.004	0.0188	0.0274
Brugia malayi	AMP-binding enzyme family protein	0.004	0.0188	0.0334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Schistosoma mansoni	FFA transport protein	0.0737	0.5391	0.5391
Brugia malayi	hypothetical protein	0.0465	0.3358	0.5981
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0357	0.0646
Schistosoma mansoni	survival motor neuron protein	0.0095	0.0594	0.0594
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.004	0.0188	0.0274
Toxoplasma gondii	propionate-CoA ligase	0.004	0.0188	0.2679
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0057	0.0314	0.057
Trichomonas vaginalis	antibiotic synthetase, putative	0.004	0.0188	0.2679
Onchocerca volvulus		0.0019	0.0031	0.0329
Onchocerca volvulus		0.004	0.0188	0.2679
Echinococcus granulosus	Smad4	0.0025	0.0075	0.0075
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0158	0.0222
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.004	0.0188	0.0332
Trichomonas vaginalis	D-aminoacylase, putative	0.0106	0.0676	1
Loa Loa (eye worm)	Smad1	0.0025	0.0075	0.0133
Echinococcus multilocularis	cysteine protease	0.0017	0.0009	0.0009
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0265	0.359
Mycobacterium ulcerans	esterase/lipase LipP	0.0106	0.0676	0.1149
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0057	0.0314	0.0501
Brugia malayi	MH2 domain containing protein	0.0372	0.2667	0.475
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0031	0.0329
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0159	0.0282
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.004	0.0188	0.0334
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Leishmania major	4-coumarate:coa ligase-like protein	0.0057	0.0314	0.0575
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0159	0.0278
Trichomonas vaginalis	D-aminoacylase, putative	0.0106	0.0676	1
Mycobacterium tuberculosis	Conserved protein	0.0106	0.0676	0.1253
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0248	0.0441
Onchocerca volvulus		0.0106	0.0676	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0158	0.0277
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0218	0.0388
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Schistosoma mansoni	ap endonuclease	0.002	0.0034	0.0034
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0158	0.4894
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.004	0.0188	0.0332
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0159	0.0159
Schistosoma mansoni	polycystin 1-related	0.0019	0.0031	0.0031
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.004	0.0188	0.2679
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.004	0.0188	0.6987
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0158	0.2238
Loa Loa (eye worm)	oxidoreductase	0.004	0.0188	0.0334
Loa Loa (eye worm)	transcription factor SMAD2	0.0372	0.2667	0.475
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0106	0.0676	0.1253
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0265	0.3835
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.004	0.0188	0.2388
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0034	0.0061
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.004	0.0188	0.0112
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0158	0.2238
Plasmodium falciparum	acyl-CoA synthetase	0.0027	0.0091	0.3194
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0057	0.0314	0.0501
Brugia malayi	Smad1	0.0025	0.0075	0.0133
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.004	0.0188	0.0112
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0055
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0166	0.0166
Trichomonas vaginalis	esterase, putative	0.0106	0.0676	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0737	0.5391	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0133	0.0133
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.013	0.0223
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0034	0.0034
Brugia malayi	hypothetical protein	0.0051	0.0265	0.0471
Brugia malayi	beta-lactamase family protein	0.0106	0.0676	0.1203
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0075	0.0075
Echinococcus multilocularis	microtubule associated protein 2	0.1354	1	1
Onchocerca volvulus		0.004	0.0188	0.2679
Schistosoma mansoni	hypothetical protein	0.0038	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0265	0.0475
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.004	0.0188	0.0332
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.004	0.0188	0.0332
Mycobacterium ulcerans	acyl-CoA synthetase	0.0057	0.0314	0.0501
Schistosoma mansoni	hypothetical protein	0.0095	0.0594	0.0594
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0009	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.004	0.0188	0.0332
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0158	0.2238
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0027	0.0091	0.0149
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0057	0.0314	1
Leishmania major	hypothetical protein, conserved	0.0051	0.0265	0.0482
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0159	0.0159
Schistosoma mansoni	hypothetical protein	0.0164	0.1109	0.1109
Brugia malayi	AMP-binding enzyme family protein	0.0057	0.0314	0.0559
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0158	0.0158
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0158	0.0158
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0258	0.0258
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0218	0.0218
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0159	0.1935
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0034	0.0043
Plasmodium vivax	acetyl-CoA synthetase, putative	0.004	0.0188	0.2679
Schistosoma mansoni	lipoxygenase	0.0055	0.0293	0.0293
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Onchocerca volvulus		0.0057	0.0314	0.4573
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0218	0.0218
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0357	0.0646
Brugia malayi	hypothetical protein	0.0019	0.0031	0.0055
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0106	0.0676	0.0676
Echinococcus granulosus	RUN	0.0019	0.0031	0.0031
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0726	0.5312	1
Mycobacterium ulcerans	lipase LipD	0.0106	0.0676	0.1149
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0106	0.0676	0.0676
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.004	0.0188	0.0334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Leishmania major	acetyl-CoA synthetase, putative	0.004	0.0188	0.0337
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0031	0.0031
Trypanosoma brucei	hypothetical protein, conserved	0.0106	0.0676	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0357	0.5025
Echinococcus multilocularis	Smad4	0.0025	0.0075	0.0075
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0357	0.0646
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0166	0.0166
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0034	0.0048
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.004	0.0188	0.0337
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0166	0.0166
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0009	0.0016
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0055	0.0055
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0158	0.193
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0075	0.0075
Trichomonas vaginalis	D-aminoacylase, putative	0.0106	0.0676	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0091	0.0161
Leishmania major	hypothetical protein, conserved	0.0106	0.0676	0.1257
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0075	0.0075
Plasmodium vivax	acyl-CoA synthetase, putative	0.0027	0.0091	0.1225
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.004	0.0188	0.0332
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0767	0.5615	1
Schistosoma mansoni	loxhd1	0.0019	0.0031	0.0031
Mycobacterium ulcerans	beta-lactamase	0.0106	0.0676	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0091	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0016
Mycobacterium leprae	Probable lipase LipE	0.0106	0.0676	0.1053
Trichomonas vaginalis	penicillin-binding protein, putative	0.0106	0.0676	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.004	0.0188	0.2388
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Brugia malayi	hypothetical protein	0.0033	0.013	0.0232
Echinococcus granulosus	survival motor neuron protein 1	0.0465	0.3358	0.3358
Leishmania major	4-coumarate:coa ligase-like protein	0.0057	0.0314	0.0575
Mycobacterium ulcerans	acyl-CoA synthetase	0.0057	0.0314	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0676	0.1203
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0159	0.4905
Brugia malayi	AMP-binding enzyme family protein	0.0057	0.0314	0.0559
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0256	0.0458
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0034	0.5
Loa Loa (eye worm)	hypothetical protein	0.0465	0.3358	0.5981
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0057	0.0314	0.0355
Entamoeba histolytica	acyl-coA synthetase, putative	0.0057	0.0314	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0265	0.0471
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0055
Mycobacterium tuberculosis	Conserved protein	0.0106	0.0676	0.1253
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0075	0.0075
Onchocerca volvulus		0.0019	0.0031	0.0329
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.004	0.0188	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0091	0.0161
Mycobacterium tuberculosis	Probable hydrolase	0.0106	0.0676	0.1253
Brugia malayi	MH2 domain containing protein	0.0025	0.0075	0.0133
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0159	0.2243
Schistosoma mansoni	microtubule-associated protein tau	0.1354	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0106	0.0676	1
Loa Loa (eye worm)	ctsf protein	0.0017	0.0009	0.0016
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.004	0.0188	0.0332
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.004	0.0188	0.0332
Brugia malayi	beta-lactamase	0.0106	0.0676	0.1203
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0357	0.0646
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0158	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0031	0.0031
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0009	0.0009
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0737	0.5391	0.5391
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0159	0.0159
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0676	0.4934	0.9286
Brugia malayi	hypothetical protein	0.0038	0.0166	0.0296
Mycobacterium ulcerans	acyl-CoA synthetase	0.004	0.0188	0.0274
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0009	0.0009
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.004	0.0188	0.0274
Echinococcus granulosus	smad	0.0025	0.0075	0.0075
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0075	0.0075

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 4.2 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4.77 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 6.1 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 21 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 43 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0.72	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 21 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 43 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 101 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 5.95	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 1.12113 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	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

ChEMBL: CHEMBL548257
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593211