TDR Targets

Basic information

Technical information

TDR Targets ID: 1077021
Name: 4,5-dichloro-2-ethyl-1,2-thiazol-3-one
MW: 198.07 | Formula: C5H5Cl2NOS
H donors: 0 H acceptors: 1 LogP: 2.08 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CCn1sc(c(c1=O)Cl)Cl
InChi: 1S/C5H5Cl2NOS/c1-2-8-5(9)3(6)4(7)10-8/h2H2,1H3
InChiKey: CULLRSWFYPMIDP-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

4,5-dichloro-2-ethyl-isothiazol-3-one
4,5-dichloro-2-ethyl-3-isothiazolone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	K(lysine) acetyltransferase 2B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781

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
Onchocerca volvulus		0.0104	0.3928	1
Loa Loa (eye worm)	glutathione reductase	0.0073	0.2509	0.3415
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2138	0.2181
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0025	0.0372	0.0338
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0811	0.1104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Mycobacterium tuberculosis	Probable oxidoreductase	0.0184	0.753	0.8031
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0166	0.6698	0.7097
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.1038	0.6685
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0041	0.1079	0.1101
Echinococcus multilocularis	lysosomal alpha glucosidase	0.018	0.7347	0.7347
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.1038	0.1413
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0811	0.5225
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0811	0.0493
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Plasmodium falciparum	glutathione reductase	0.0073	0.2509	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0025	0.0372	0.1483
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0025	0.0372	0.0379
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1038	0.6685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3391	0.3502
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0025	0.0372	0.0338
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0811	0.5225
Mycobacterium tuberculosis	Probable reductase	0.0166	0.6698	0.7097
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0025	0.0372	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0166	0.6698	0.7097
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.0042	0.0166
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0025	0.0372	0.0338
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0811	0.0991
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.7107	0.9674
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.1553	0.619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.3391	0.4616
Onchocerca volvulus		0.0035	0.0814	0.2072
Leishmania major	cathepsin L-like protease	0.0064	0.2138	0.2181
Schistosoma mansoni	cellular tumor antigen P53	0.0035	0.0814	0.0841
Entamoeba histolytica	hypothetical protein	0.0036	0.0838	0.6164
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.0042	0.0043
Leishmania major	hypothetical protein, conserved	0.0035	0.0811	0.0828
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0041	0.1079	0.1469
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.7107	0.7107
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0838	0.0838
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0073	0.2509	0.2397
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0025	0.0372	0.0384
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0235	0.9804	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0025	0.0372	0.0379
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.1553	0.1553
Loa Loa (eye worm)	transcription factor SMAD2	0.0085	0.3041	0.4139
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0025	0.0372	0.1483
Onchocerca volvulus		0.0035	0.0811	0.2065
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0073	0.2525	0.2525
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0166	0.6698	0.7097
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0184	0.753	0.8031
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0811	0.0493
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.1079	0.1079
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.1553	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0033	0.0725	0.0739
Trypanosoma brucei	trypanothione reductase	0.0073	0.2509	0.2527
Leishmania major	trypanothione reductase	0.0073	0.2509	0.2559
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0811	0.5225
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.3391	0.3391
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0838	0.0838
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1038	0.6685
Leishmania major	cathepsin L-like protease	0.0064	0.2138	0.2181
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.1079	0.695
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0111	0.4239	0.4324
Trichomonas vaginalis	mercuric reductase, putative	0.0025	0.0372	0.2396
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0041	0.1079	0.1079
Echinococcus granulosus	thioredoxin glutathione reductase	0.0073	0.2525	0.2525
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.1553	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0814	0.1108
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0811	0.0811
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.1038	0.6685
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0025	0.0372	0.0379
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.1079	0.1101
Schistosoma mansoni	hypothetical protein	0.0036	0.0838	0.0866
Entamoeba histolytica	hypothetical protein	0.0036	0.0838	0.6164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0025	0.0372	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0041	0.1079	0.7935
Brugia malayi	beta-lactamase family protein	0.0035	0.0811	0.1104
Brugia malayi	hypothetical protein	0.0036	0.0838	0.1141
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0811	0.0493
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.136	0.5421
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0184	0.753	0.8031
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0811	0.0493
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0811	0.0493
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1038	0.6685
Schistosoma mansoni	hypothetical protein	0.0165	0.6643	0.6861
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Brugia malayi	MH2 domain containing protein	0.0085	0.3041	0.4139
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0025	0.0372	0.0379
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.018	0.7347	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0235	0.9804	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3391	0.3502
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0019	0.0071	0.0097
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.1553	0.619
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0041	0.1079	0.695
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.1887	0.1925
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.3391	0.3391
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2138	0.2181
Plasmodium falciparum	glutathione reductase	0.0025	0.0372	0.1483
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0041	0.1079	0.1115
Plasmodium falciparum	ataxin-2 like protein, putative	0.0018	0.0042	0.0166
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.3391	0.4616
Trypanosoma cruzi	trypanothione reductase, putative	0.0025	0.0372	0.0379
Plasmodium vivax	glutathione reductase, putative	0.0073	0.2509	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.136	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.1079	0.1101
Plasmodium vivax	thioredoxin reductase, putative	0.0073	0.2509	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0811	0.0838
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0811	0.5225
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.2138	0.2181
Plasmodium vivax	ataxin-2 like protein, putative	0.0018	0.0042	0.0166
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0811	0.0991
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.2138	0.2181
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0235	0.9804	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.1038	0.1059
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0811	0.5225
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0811	0.0828
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.3391	0.3391
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0811	0.3234
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.7107	0.734
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0811	0.0991
Brugia malayi	beta-lactamase	0.0035	0.0811	0.1104
Brugia malayi	glutathione reductase	0.0073	0.2509	0.3415
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.004	0.105	0.107
Loa Loa (eye worm)	thioredoxin reductase	0.0073	0.2509	0.3415
Leishmania major	cathepsin L-like protease	0.0064	0.2138	0.2181
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Echinococcus granulosus	geminin	0.0165	0.6643	0.6643
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.1038	0.1413
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.1038	0.6685
Trypanosoma brucei	glucosidase, putative	0.004	0.1038	0.1021
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0838	0.0866
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0111	0.4239	0.43
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.9285	1
Loa Loa (eye worm)	acetyltransferase	0.0175	0.7107	0.9674
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0033	0.0725	0.0739
Brugia malayi	Glycosyl hydrolases family 31 protein	0.018	0.7347	1
Mycobacterium ulcerans	hypothetical protein	0.0124	0.4804	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.3391	0.3391
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1038	0.6685
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Echinococcus multilocularis	ubiquitin specific protease 41	0.0041	0.1079	0.1079
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0025	0.0372	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0057
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0025	0.0372	0.1483
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Toxoplasma gondii	NADPH-glutathione reductase	0.0025	0.0372	0.1483
Onchocerca volvulus		0.0035	0.0811	0.2065
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0811	0.0493
Brugia malayi	beta-lactamase family protein	0.0035	0.0811	0.1104
Schistosoma mansoni	alpha-glucosidase	0.0155	0.6218	0.6421
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1079	0.1469
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0041	0.1079	0.1079
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.136	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0811	0.0991
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0811	0.0811
Echinococcus granulosus	lysosomal alpha glucosidase	0.018	0.7347	0.7347
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0811	0.0493
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Treponema pallidum	NADH oxidase	0.0025	0.0372	0.5
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.1553	0.619
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0184	0.753	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0838	0.6164
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0811	0.0828
Toxoplasma gondii	thioredoxin reductase	0.0073	0.2509	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0025	0.0372	0.1483
Brugia malayi	Thioredoxin reductase	0.0073	0.2509	0.3415
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0025	0.0372	0.0372
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0166	0.6698	0.7097
Plasmodium falciparum	thioredoxin reductase	0.0025	0.0372	0.1483
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0811	0.1104
Mycobacterium tuberculosis	Probable dehydrogenase	0.0166	0.6698	0.7097
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0033	0.0725	0.0739
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0811	0.1104
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0019	0.0071	0.0097
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0041	0.1079	0.1063
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0811	0.0493
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Schistosoma mansoni	hypothetical protein	0.0165	0.6643	0.6861
Echinococcus multilocularis	lysosomal alpha glucosidase	0.018	0.7347	0.7347
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0057
Leishmania major	mitochondrial DNA polymerase beta	0.0235	0.9804	1
Schistosoma mansoni	alpha glucosidase	0.004	0.1038	0.1072
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.1038	0.7632
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.6887	0.6887
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0111	0.4239	0.4324
Toxoplasma gondii	LsmAD domain-containing protein	0.0018	0.0042	0.0166
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0041	0.1079	0.695
Loa Loa (eye worm)	MH2 domain-containing protein	0.0085	0.3041	0.4139
Trichomonas vaginalis	glutathione reductase, putative	0.0025	0.0372	0.2396
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0811	0.0838
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.1038	0.7632
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.1038	0.1038
Entamoeba histolytica	hypothetical protein	0.0036	0.0838	0.6164
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0041	0.1079	0.7157
Trypanosoma cruzi	PAB1-binding protein , putative	0.0018	0.0042	0.0043
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0025	0.0372	0.0506
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.1038	0.6685
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0041	0.1079	0.1079
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.1038	0.1059
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0811	0.1104
Schistosoma mansoni	alpha-glucosidase	0.0155	0.6218	0.6421
Toxoplasma gondii	ABC1 family protein	0.0035	0.0811	0.3234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3391	0.3502
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0811	0.0493
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0166	0.6698	0.8761
Toxoplasma gondii	hypothetical protein	0.0038	0.0943	0.3759
Leishmania major	hypothetical protein, conserved	0.0018	0.0042	0.0043
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.1038	0.4138
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.1038	0.1059
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0025	0.0372	0.0338
Trypanosoma cruzi	trypanothione reductase, putative	0.0073	0.2509	0.2559
Plasmodium falciparum	thioredoxin reductase	0.0073	0.2509	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Echinococcus granulosus	ubiquitin specific protease 41	0.0041	0.1079	0.1079
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0025	0.0372	0.5
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0033	0.0725	0.0699
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0811	0.0991
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.1038	0.6685
Onchocerca volvulus		0.0035	0.0811	0.2065
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.1038	0.1038
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0124	0.4804	0.4973
Trichomonas vaginalis	esterase, putative	0.0035	0.0811	0.5225
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0025	0.0372	0.0372
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.2138	0.2148
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.1518	0.1548
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0041	0.1079	0.1115
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0811	0.0788
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0025	0.0372	0.0379
Echinococcus multilocularis	geminin	0.0165	0.6643	0.6643
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0811	0.0493

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.4 uM	Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay	ChEMBL.	19683843
IC50 (functional)	= 12 uM	Growth inhibition of human HepG2 cells after 48 hrs by crystal violet assay	ChEMBL.	19683843

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19683843

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: CHEMBL572736

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1077021