TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.55 | Formula: C25H25N3O2S
H donors: 2 H acceptors: 3 LogP: 4.65 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(C1CCCCN1C(=O)c1ccc(cc1)c1ccc(s1)c1nc2c([nH]1)cccc2)O
InChi: 1S/C25H25N3O2S/c1-16(29)21-8-4-5-15-28(21)25(30)18-11-9-17(10-12-18)22-13-14-23(31-22)24-26-19-6-2-3-7-20(19)27-24/h2-3,6-7,9-14,16,21,29H,4-5,8,15H2,1H3,(H,26,27)
InChiKey: JGHVPLNFANBFMV-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	acyl-CoA synthetase	0.0044	0.0626	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0154	0.4235	0.4182
Schistosoma mansoni	cpg binding protein	0.007	0.1473	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0128	0.0038
Trichomonas vaginalis	esterase, putative	0.0038	0.0437	0.0485
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.4062	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Loa Loa (eye worm)	hypothetical protein	0.0089	0.21	0.2027
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0437	0.0014
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0044	0.0626	0.0297
Echinococcus multilocularis	lysosomal alpha glucosidase	0.033	1	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0724	0.0576
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.2634	0.33
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0044	0.0626	0.0522
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0115	0.2945	0.3269
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4062	0.4008
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0626	0.1348
Loa Loa (eye worm)	jmjC domain-containing protein	0.0085	0.1963	0.1889
Trichomonas vaginalis	alpha-glucosidase, putative	0.0073	0.1595	0.2105
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.2634	0.33
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0437	0.0485
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.1247	0.1225
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0044	0.0626	0.0522
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.087	0.0786
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0063	0.1274	0.1169
Entamoeba histolytica	acyl-coA synthetase, putative	0.0149	0.4062	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0044	0.0626	0.0297
Schistosoma mansoni	hypothetical protein	0.0045	0.0668	0.0507
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.4062	0.4008
Brugia malayi	jmjC domain containing protein	0.0085	0.1963	0.1889
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0437	0.0014
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0626	0.356
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1232	0.7589
Loa Loa (eye worm)	jmjC domain-containing protein	0.0131	0.3486	0.3426
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Brugia malayi	CXXC zinc finger family protein	0.0062	0.1221	0.1141
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0111	0.2832	0.6608
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1247	0.2234
Schistosoma mansoni	patched 1	0.0048	0.0782	0.0645
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0044	0.0626	0.054
Echinococcus multilocularis	jumonji domain containing protein	0.0088	0.2088	0.1992
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0044	0.0626	0.0522
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1247	0.2234
Schistosoma mansoni	hypothetical protein	0.0063	0.1274	0.1243
Brugia malayi	PHD-finger family protein	0.0058	0.1088	0.1006
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0078	0.1757	0.1657
Brugia malayi	Pre-SET motif family protein	0.0216	0.6265	0.6231
Brugia malayi	CHE-14 protein	0.0048	0.0782	0.0697
Brugia malayi	beta-lactamase family protein	0.0038	0.0437	0.0349
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0044	0.0626	0.0522
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1247	0.121
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0149	0.4062	0.5436
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0149	0.4062	1
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Echinococcus granulosus	survival motor neuron protein 1	0.0251	0.7394	0.7363
Schistosoma mansoni	jumonji domain containing protein	0.0165	0.4601	0.5277
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0782	0.067
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0134	0.3566	0.3488
Loa Loa (eye worm)	hypothetical protein	0.0251	0.7394	0.737
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2832	0.2767
Echinococcus multilocularis	protein dispatched 1	0.0055	0.1005	0.0896
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0044	0.0626	0.0297
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0037	0.0413	0.0198
Echinococcus granulosus	expressed conserved protein	0.0106	0.2664	0.2576
Brugia malayi	PHD-finger family protein	0.0063	0.1274	0.1195
Plasmodium vivax	SET domain protein, putative	0.0032	0.0249	0.0881
Mycobacterium ulcerans	hypothetical protein	0.0149	0.4062	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0724	0.0576
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0782	0.0967
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0073	0.1595	0.2105
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0149	0.4062	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0044	0.0626	0.0297
Brugia malayi	hypothetical protein	0.0037	0.0412	0.0324
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0412	0.0296
Leishmania major	hypothetical protein, conserved	0.0033	0.0288	0.0496
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0626	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4376	0.4324
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0069	0.1464	0.1473
Plasmodium vivax	acyl-CoA synthetase, putative	0.0111	0.2832	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0124	0.3237	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0044	0.0626	0.0522
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0073	0.1595	0.3788
Onchocerca volvulus		0.0038	0.0437	0.0485
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1232	0.7589
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0073	0.1595	0.2105
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0062	0.1221	0.1141
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0149	0.4062	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0626	0.356
Brugia malayi	F/Y-rich N-terminus family protein	0.0045	0.0668	0.0582
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0437	0.0321
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Echinococcus granulosus	fetal alzheimer antigen falz	0.0053	0.0919	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4376	0.4324
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.1232	0.7589
Trichomonas vaginalis	alpha-glucosidase, putative	0.0073	0.1595	0.2105
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0626	0.054
Echinococcus granulosus	lysosomal alpha glucosidase	0.033	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0842	0.0758
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0437	0.0485
Onchocerca volvulus		0.0044	0.0626	0.0749
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Brugia malayi	beta-lactamase	0.0038	0.0437	0.0349
Onchocerca volvulus		0.0191	0.5446	0.7495
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1464	0.1386
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0053	0.0919	0.0812
Echinococcus granulosus	neutral alpha glucosidase AB	0.0073	0.1595	0.1493
Onchocerca volvulus		0.0038	0.0437	0.0485
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0044	0.0626	0.0522
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0437	0.2302
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.1247	0.1141
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0782	0.067
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0412	0.0197
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Echinococcus multilocularis	peregrin	0.0069	0.1443	0.134
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4062	0.4008
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1595	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0073	0.1595	0.2105
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0912	0.0829
Brugia malayi	Bromodomain containing protein	0.0167	0.4655	0.4606
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0437	0.0014
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0044	0.0626	0.0297
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.1247	0.121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0073	0.1595	0.1493
Echinococcus granulosus	lysine specific demethylase 5A	0.0085	0.1963	0.1866
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1931	0.1857
Schistosoma mansoni	acetyl-CoA synthetase	0.0044	0.0626	0.0457
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0437	0.2302
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0912	0.0802
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.6265	0.6231
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0437	0.0349
Loa Loa (eye worm)	hypothetical protein	0.005	0.0842	0.0758
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.4062	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0912	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1274	0.1195
Loa Loa (eye worm)	PHD-finger family protein	0.0045	0.0668	0.0582
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0111	0.2832	0.5
Schistosoma mansoni	alpha-glucosidase	0.0284	0.8496	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0161	0.4472	0.4405
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Onchocerca volvulus		0.0044	0.0626	0.0749
Onchocerca volvulus		0.0246	0.7236	1
Echinococcus granulosus	muscleblind protein	0.0158	0.4376	0.4307
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0912	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2832	0.2767
Leishmania major	cathepsin L-like protease	0.0062	0.1232	0.2874
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0085	0.1963	0.2078
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.033	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1232	0.7589
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0069	0.1464	0.1361
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0437	0.0485
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Schistosoma mansoni	cpg binding protein	0.0062	0.1221	0.1179
Echinococcus multilocularis	Niemann Pick C1 protein	0.0113	0.2888	0.2802
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0912	0.0829
Onchocerca volvulus		0.0062	0.1221	0.1583
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0044	0.0626	0.126
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Echinococcus multilocularis	expressed conserved protein	0.0106	0.2664	0.2576
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0044	0.0626	0.0513
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0132	0.3527	0.3975
Loa Loa (eye worm)	hypothetical protein	0.0109	0.2758	0.2692
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0044	0.0626	0.221
Echinococcus granulosus	peregrin	0.0069	0.1443	0.134
Trichomonas vaginalis	alpha-glucosidase, putative	0.0073	0.1595	0.2105
Echinococcus granulosus	histone lysine methyltransferase setb	0.0069	0.1464	0.1361
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0437	0.0321
Echinococcus multilocularis	muscleblind protein	0.0158	0.4376	0.4307
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.0809
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0626	0.0297
Trypanosoma brucei	glucosidase, putative	0.0073	0.1595	1
Schistosoma mansoni	zinc finger protein	0.0046	0.0708	0.0556
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0149	0.4062	1
Schistosoma mansoni	cpg binding protein	0.007	0.1473	0.1484
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.4062	0.4008
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0037	0.0413	0.0198
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0044	0.0626	0.1348
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0412	0.0296
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0111	0.2832	0.3597
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0044	0.0626	0.0522
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0437	0.0014
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.1056	0.6415
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0912	0.0802
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0626	0.356
Echinococcus granulosus	PHD finger protein rhinoceros	0.0063	0.1274	0.1169
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0437	0.0485
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.1247	0.3338
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.1274	0.45
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.0809
Echinococcus multilocularis	survival motor neuron protein 1	0.0251	0.7394	0.7363
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0085	0.1963	0.2078
Leishmania major	hypothetical protein, conserved	0.0038	0.0437	0.0872
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0842	0.0758
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0044	0.0626	0.0522
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.4062	1
Brugia malayi	hypothetical protein	0.0251	0.7394	0.737
Brugia malayi	PHD-finger family protein	0.0028	0.0128	0.0038
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0168	0.0049
Brugia malayi	Niemann-Pick C1 protein precursor	0.0113	0.2888	0.2823
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.4062	1
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0044	0.0626	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2832	0.2767
Brugia malayi	Bromodomain containing protein	0.0083	0.1926	0.1852
Leishmania major	acetyl-CoA synthetase, putative	0.0044	0.0626	0.1348
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0044	0.0626	0.356
Leishmania major	cathepsin L-like protease	0.0062	0.1232	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0147	0.4016	0.3962
Mycobacterium ulcerans	acyl-CoA synthetase	0.0149	0.4062	1
Plasmodium falciparum	acyl-CoA synthetase	0.0111	0.2832	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0626	0.054
Echinococcus granulosus	cpg binding protein	0.007	0.1473	0.137
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0044	0.0626	0.0513
Trichomonas vaginalis	alpha-glucosidase, putative	0.0073	0.1595	0.2105
Onchocerca volvulus		0.0032	0.0249	0.0222
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.2634	0.33
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0044	0.0626	0.054
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0073	0.1595	0.4503
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0782	0.067
Trichomonas vaginalis	alpha-glucosidase, putative	0.0073	0.1595	0.2105
Echinococcus multilocularis	lysine specific demethylase 5A	0.0077	0.1711	0.1611
Echinococcus granulosus	zinc finger protein	0.0046	0.0708	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Giardia lamblia	PHD finger protein 15	0.0063	0.1274	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0208	0.5999	0.5951
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0626	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2832	0.2767
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0322	0.0233
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0437	0.0014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0842	0.0758
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.1247	0.1141
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0053	0.0919	0.0809
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0113	0.2888	0.7044
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0149	0.4062	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.033	1	1
Echinococcus multilocularis	zinc finger protein	0.0046	0.0708	0.0595
Brugia malayi	hypothetical protein	0.0147	0.4016	0.3962
Echinococcus granulosus	jumonji domain containing protein	0.0088	0.2088	0.1992
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0782	0.0697
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0437	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2888	0.2823
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4062	0.4008
Onchocerca volvulus		0.0038	0.0437	0.0485
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0437	0.0227
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.1595	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0073	0.1595	0.3788
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0437	0.0014
Echinococcus granulosus	Niemann Pick C1 protein	0.0161	0.4472	0.4405
Onchocerca volvulus	Alhambra homolog	0.0063	0.1274	0.1657
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0242	0.7114	1
Schistosoma mansoni	survival motor neuron protein	0.0051	0.087	0.0752
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0437	0.0485
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0044	0.0626	0.0522
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.1274	0.3431
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0044	0.0626	0.0522
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0044	0.0626	0.126
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0437	0.0014
Echinococcus multilocularis	protein patched	0.0048	0.0782	0.067
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0037	0.0416	0.0202
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.4376	0.4307
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0044	0.0626	0.356
Schistosoma mansoni	hypothetical protein	0.0034	0.0322	0.0088
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Brugia malayi	Bromodomain containing protein	0.0069	0.1443	0.1365
Loa Loa (eye worm)	PHD-finger family protein	0.0063	0.1274	0.1195
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0134	0.3566	0.3488
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0782	0.0697
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0044	0.0626	0.221
Schistosoma mansoni	hypothetical protein	0.0033	0.0288	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0437	0.0349
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.1247	0.2234
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0073	0.1595	0.2105
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0912	0.0802
Trypanosoma brucei	ISWI complex protein	0.0033	0.0288	0.1309
Schistosoma mansoni	hypothetical protein	0.0037	0.0412	0.0197
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0437	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2351	0.2281
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0437	0.1543
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2832	0.2767
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0037	0.0413	0.0297
Toxoplasma gondii	propionate-CoA ligase	0.0044	0.0626	0.126
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0626	0.1348
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0078	0.1757	0.1657
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0437	0.0014
Echinococcus multilocularis	cpg binding protein	0.007	0.1473	0.137
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0149	0.4062	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0037	0.0413	0.0297
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0249	0.0131
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Schistosoma mansoni	alpha glucosidase	0.0073	0.1595	0.1632
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0044	0.0626	0.0522
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0149	0.4062	0.5436
Leishmania major	alpha glucosidase II subunit, putative	0.0073	0.1595	0.3788
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0437	0.0349
Trichomonas vaginalis	antibiotic synthetase, putative	0.0044	0.0626	0.0749
Loa Loa (eye worm)	bromodomain containing protein	0.0038	0.0456	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1138	0.1057
Brugia malayi	AMP-binding enzyme family protein	0.0149	0.4062	0.4008
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.1247	0.2911
Brugia malayi	beta-lactamase family protein	0.0038	0.0437	0.0349
Onchocerca volvulus		0.0044	0.0626	0.0749
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0912	0.0802
Trypanosoma cruzi	ISWI complex protein	0.0033	0.0288	0.1309
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0912	0.0804
Leishmania major	4-coumarate:coa ligase-like protein	0.0149	0.4062	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.0809
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0626	0.0522
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0626	0.0297
Loa Loa (eye worm)	oxidoreductase	0.0044	0.0626	0.054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0437	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0322	0.0233
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.1274	0.3431
Onchocerca volvulus		0.0149	0.4062	0.5558
Schistosoma mansoni	hypothetical protein	0.0047	0.0724	0.0576
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0044	0.0626	0.0297
Schistosoma mansoni	zinc finger protein	0.0033	0.0288	0.0046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0105	0.2634	0.33
Brugia malayi	Muscleblind-like protein	0.0158	0.4376	0.4324
Onchocerca volvulus		0.0051	0.087	0.109
Trypanosoma cruzi	ISWI complex protein	0.0033	0.0288	0.1309
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0437	0.2302
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0073	0.1595	0.1518
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0626	0.0297
Brugia malayi	Pre-SET motif family protein	0.0032	0.0249	0.016
Onchocerca volvulus		0.0147	0.4016	0.5494
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0073	0.1595	0.1518
Echinococcus granulosus	Niemann Pick C1 protein	0.0113	0.2888	0.2802
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0044	0.0626	0.0297
Toxoplasma gondii	ABC1 family protein	0.0038	0.0437	0.0627
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0063	0.1274	0.1243
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0149	0.4062	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1232	0.7589
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0626	0.054
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0208	0.5999	0.5951
Onchocerca volvulus		0.0044	0.0626	0.0749
Schistosoma mansoni	bromodomain containing protein	0.0141	0.3821	0.4331
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0044	0.0626	0.356
Plasmodium falciparum	phd finger protein, putative	0.0063	0.1274	0.45
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0069	0.1464	0.1473
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0797	0.4694
Schistosoma mansoni	hypothetical protein	0.0051	0.087	0.0752
Trichomonas vaginalis	set domain proteins, putative	0.0246	0.7236	1
Leishmania major	cathepsin L-like protease	0.0062	0.1232	0.2874
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0149	0.4062	1
Schistosoma mansoni	alpha-glucosidase	0.0284	0.8496	1
Brugia malayi	jmjC domain containing protein	0.0208	0.5999	0.5962
Schistosoma mansoni	hypothetical protein	0.0047	0.0724	0.0576
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.0809
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0437	0.0014

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -3.15 %	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)	= -1.69 %	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)	= -1.19 %	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)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 33 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 98 %	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)	= 6.73	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)	= 33 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 98 %	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)	= 6.02	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.966 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: CHEMBL534062
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593923