TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 549.507 | Formula: C28H25F6N3O2
H donors: 2 H acceptors: 3 LogP: 4.97 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: FC(c1ccc2c(c1)nc([nH]2)c1ccc(cc1)c1cccc(c1)CN1CCCCC1)(F)F.OC(=O)C(F)(F)F
InChi: 1S/C26H24F3N3.C2HF3O2/c27-26(28,29)22-11-12-23-24(16-22)31-25(30-23)20-9-7-19(8-10-20)21-6-4-5-18(15-21)17-32-13-2-1-3-14-32;3-2(4,5)1(6)7/h4-12,15-16H,1-3,13-14,17H2,(H,30,31);(H,6,7)
InChiKey: NBJXPSSDTWWKSG-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
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0134	0.0355
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0061	0.0096
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0061	0.0096
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0193	0.0631
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0024	0.0061	0.0199
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Schistosoma mansoni	aldehyde dehydrogenase	0.0119	0.0666	0.2238
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0134	0.047
Trichomonas vaginalis	antibiotic synthetase, putative	0.0024	0.0061	0.2694
Loa Loa (eye worm)	transcription factor SMAD2	0.0372	0.2274	0.8004
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0072	0.0218
Schistosoma mansoni	survival motor neuron protein	0.005	0.0231	0.0757
Brugia malayi	beta-lactamase	0.0035	0.0134	0.0471
Toxoplasma gondii	MAPEG family protein	0.011	0.0608	0.9105
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0072	0.0236
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0134	0.047
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0024	0.0061	0.2331
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Leishmania major	acetyl-CoA synthetase, putative	0.0024	0.0061	0.0199
Schistosoma mansoni	smad	0.0025	0.0072	0.0218
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0072	0.0218
Entamoeba histolytica	hypothetical protein	0.0038	0.0149	1
Echinococcus granulosus	Smad4	0.0025	0.0072	0.0236
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0233	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0024	0.0061	0.2694
Onchocerca volvulus		0.0035	0.0134	0.4295
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0134	0.047
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0134	0.0277
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0024	0.0061	0.0096
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0034	0.5
Onchocerca volvulus		0.005	0.0231	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0024	0.0061	0.0199
Toxoplasma gondii	exonuclease III APE	0.0019	0.0034	0.0401
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0444	0.2728	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.0215
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0134	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0134	0.0355
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0034	0.1173
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	0.1478	0.1471
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0034	0.0098
Loa Loa (eye worm)	oxidoreductase	0.0024	0.0061	0.0215
Toxoplasma gondii	propionate-CoA ligase	0.0024	0.0061	0.0809
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0233	0.3421
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0134	0.047
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0193	0.0683
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0134	0.0464
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0072	0.0064
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0134	0.0126
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0055	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.0215
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Schistosoma mansoni	aldehyde dehydrogenase	0.0119	0.0666	0.2238
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0008	0.0028
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0134	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0134	0.047
Brugia malayi	hypothetical protein	0.0051	0.0233	0.0821
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0134	0.0464
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0199
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Brugia malayi	MH2 domain containing protein	0.0372	0.2274	0.8004
Loa Loa (eye worm)	Smad1	0.0025	0.0072	0.0253
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0034	0.0097
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0072	0.0253
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0024	0.0061	0.0096
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0008	0.0028
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0134	0.047
Brugia malayi	MH1 domain containing protein	0.0025	0.0072	0.0253
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0438	0.2691	1
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0024	0.0061	0.2364
Schistosoma mansoni	acetyl-CoA synthetase	0.0024	0.0061	0.0181
Leishmania major	hypothetical protein, conserved	0.0035	0.0134	0.047
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0119	0.0666	0.2422
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0024	0.0061	0.0199
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0134	0.047
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0024	0.0061	0.2364
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.0215
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0134	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0193	0.0631
Schistosoma mansoni	microsomal glutathione s-transferase	0.011	0.0608	0.2038
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0134	0.0471
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0024	0.0061	0.0096
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0072	0.0064
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0199
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0024	0.0061	0.0199
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0034	0.0098
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0061	0.2331
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0134	0.0464
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0193	0.0681
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0061	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.0215
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0024	0.0061	0.0096
Onchocerca volvulus		0.0035	0.0134	0.4295
Brugia malayi	Smad1	0.0025	0.0072	0.0253
Mycobacterium ulcerans	lipase LipD	0.0035	0.0134	0.0355
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0666	0.2252
Loa Loa (eye worm)	MH2 domain-containing protein	0.0372	0.2274	0.8004
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0134	0.0355
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0024	0.0061	0.0196
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0666	0.2252
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0134	0.5596
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0193	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0438	0.2691	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0134	0.0428
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0061	0.0096
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0061	0.0096
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0134	0.5596
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0024	0.0061	0.0196
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0024	0.0061	0.0199
Brugia malayi	AMP-binding enzyme family protein	0.0462	0.2841	1
Brugia malayi	hypothetical protein	0.0038	0.0149	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0061	0.0215
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0462	0.2841	1
Schistosoma mansoni	FFA transport protein	0.0444	0.2728	0.9242
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0247	0.1478	0.5203
Schistosoma mansoni	hypothetical protein	0.0023	0.0055	0.0162
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0134	0.047
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0444	0.2728	1
Brugia malayi	hypothetical protein	0.0033	0.0119	0.0419
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0072	0.0218
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0149	0.0142
Schistosoma mansoni	ap endonuclease	0.0019	0.0034	0.009
Brugia malayi	beta-lactamase family protein	0.0035	0.0134	0.0471
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0024	0.0061	0.0215
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0134	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0233	0.0821
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0444	0.2728	1
Echinococcus granulosus	microsomal glutathione S transferase 3	0.011	0.0608	0.2205
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0233	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0134	1
Schistosoma mansoni	hypothetical protein	0.0164	0.095	0.3202
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.011	0.0608	0.06
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0462	0.2841	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0134	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0119	0.0666	0.0659
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0061	0.0096
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0193	0.0186
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0024	0.0061	0.0096
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0072	0.0236
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0134	0.047
Schistosoma mansoni	hypothetical protein	0.005	0.0231	0.0757
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.1335	0.4948
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0024	0.0061	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0134	0.0471
Echinococcus granulosus	survival motor neuron protein 1	0.0247	0.1478	0.5406
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0061	0.0199
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0018	0.0024	0.0061
Leishmania major	fatty acid transporter protein-like protein	0.0438	0.2691	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0119	0.0666	0.2252
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0034	0.0121
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0024	0.0061	0.0196
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0072	0.0218
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0034	0.0121
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0024	0.0061	0.0809
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0061	0.2331
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0134	0.0471
Leishmania major	acetyl-CoA synthetase, putative	0.0024	0.0061	0.0199
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0119	0.0666	0.2455
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0024	0.0061	0.0199
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0024	0.0061	0.0199
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0231	0.0812
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0199
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0061	0.0199
Echinococcus multilocularis	smad	0.0025	0.0072	0.0064
Brugia malayi	beta-lactamase family protein	0.0035	0.0134	0.0471
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0024	0.0061	0.0096
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0024	0.0061	0.0809
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Schistosoma mansoni	Smad4	0.0025	0.0072	0.0218
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0024	0.0061	0.0053
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0008	0.0028
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0444	0.2728	0.2722
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0034	0.5
Brugia malayi	MH1 domain containing protein	0.0025	0.0072	0.0253
Echinococcus multilocularis	Smad4	0.0025	0.0072	0.0064
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0193	0.0631
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0024	0.0061	0.0196
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0193	0.0186
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0149	0.0521
Schistosoma mansoni	hypothetical protein	0.0038	0.0149	0.0481
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0072	0.0253
Brugia malayi	hypothetical protein	0.0247	0.1478	0.5203
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0024	0.0061	0.0196
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0024	0.0061	0.2364
Leishmania major	hypothetical protein, conserved	0.0051	0.0233	0.084
Echinococcus granulosus	geminin	0.0164	0.095	0.3464
Entamoeba histolytica	hypothetical protein	0.0038	0.0149	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0233	1
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0149	0.0481
Schistosoma mansoni	ap endonuclease	0.0019	0.0034	0.009
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0233	0.0828
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0024	0.0061	0.0199
Schistosoma mansoni	hypothetical protein	0.0164	0.095	0.3202
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Echinococcus multilocularis	geminin	0.0164	0.095	0.0943
Entamoeba histolytica	hypothetical protein	0.0038	0.0149	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0055	0.0048
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.0233	1
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0479	0.295	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0061	0.0096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0193	0.0683
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0134	0.0355
Toxoplasma gondii	aldehyde dehydrogenase	0.0119	0.0666	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0134	0.1914
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0024	0.0061	0.2364
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0034	0.1173
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0034	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0134	0.047
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0061	0.2331
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0024	0.0061	0.0215
Onchocerca volvulus		0.0035	0.0134	0.4295
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0134	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0233	0.0828
Brugia malayi	MH2 domain containing protein	0.0025	0.0072	0.0253
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0061	0.0215
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0034	0.1173
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0061	0.0096
Echinococcus granulosus	smad	0.0025	0.0072	0.0236
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0034	0.0026
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0034	0.0097
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0134	0.0428
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0034	0.0097
Entamoeba histolytica	hypothetical protein	0.0038	0.0149	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0119	0.0666	0.2455
Brugia malayi	MH2 domain containing protein	0.0025	0.0072	0.0253
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0134	0.0277

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0.4 %	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)	= 2 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 2.01 %	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)	= 2.89 %	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)	= 22 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 99 %	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)	= 2.82	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)	= 22 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.84	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.14401 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: CHEMBL588576
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 597844