TDR Targets

Basic information

Technical information

TDR Targets ID: 1287012
Name: 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazo l-2-yl]amino]butanoic acid
MW: 269.201 | Formula: C7H6F3N3O3S
H donors: 2 H acceptors: 5 LogP: 0.23 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nnc(s1)C(F)(F)F)CCC(=O)O
InChi: 1S/C7H6F3N3O3S/c8-7(9,10)5-12-13-6(17-5)11-3(14)1-2-4(15)16/h1-2H2,(H,15,16)(H,11,13,14)
InChiKey: PTYFZPOMQNHYHW-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-keto-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butyric acid
SDCCGMLS-0025759.P002
BAS 00929185
ST5006091
MLS000071060
N-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamic acid
SMR000009735

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chromobox homolog 1	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Chromobox protein homolog 5, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Theileria parva	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Onchocerca volvulus	Heterochromatin protein 1 homolog	Get druggable targets OG5_129545	All targets in OG5_129545
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Onchocerca volvulus		Get druggable targets OG5_129545	All targets in OG5_129545
Trichomonas vaginalis	chromobox protein, putative	Get druggable targets OG5_129545	All targets in OG5_129545
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129545	All targets in OG5_129545
Brugia malayi	Heterochromatin protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Echinococcus multilocularis	chromobox protein 1	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545
Schistosoma mansoni	chromobox protein	Get druggable targets OG5_129545	All targets in OG5_129545

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2606	0.2597
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0072	0.0061
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0973	0.0283
Entamoeba histolytica	hypothetical protein	0.0036	0.0305	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.002	0.0012	0.0016
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0116	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0973	0.0948
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0053	0.0621	0.0621
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.1186	0.1161
Onchocerca volvulus		0.0053	0.0621	0.1715
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1444	0.1444
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0298	0.0404
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0973	0.0283
Schistosoma mansoni	chromobox protein	0.0084	0.1186	0.1186
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0089	0.1272	0.1726
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0066	0.0851	0.084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1444	0.1444
Schistosoma mansoni	hypothetical protein	0.0023	0.0072	0.0072
Echinococcus multilocularis	geminin	0.0189	0.3086	0.4187
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0298	0.0287
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0767	0.104
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1087	0.1076
Schistosoma mansoni	alpha-glucosidase	0.0137	0.215	0.215
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0298	0.0294
Echinococcus multilocularis	polycomb protein SCMH1	0.0053	0.0621	0.0842
Onchocerca volvulus		0.0092	0.1332	0.4589
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.2796	0.4339
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0754	0.1023
Schistosoma mansoni	hypothetical protein	0.0089	0.1272	0.1272
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.315	0.326
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0089	0.1272	0.117
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.6291	1
Echinococcus granulosus	polycomb protein SCMH1	0.0053	0.0621	0.0842
Echinococcus multilocularis	dnaJ subfamily C 6	0.0066	0.0851	0.1155
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0973	0.0224
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1444	0.1959
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2833	0.2812
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0327	0.0316
Brugia malayi	Bromodomain containing protein	0.0085	0.1204	0.1101
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.6291	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0298	0.0271
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0298	0.0271
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0754	0.0754
Schistosoma mansoni	hypothetical protein	0.0089	0.1272	0.1272
Schistosoma mansoni	cpg binding protein	0.0034	0.0266	0.0266
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.2554	0.3465
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0053	0.0621	0.1715
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0973	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0045	0.048	0.0468
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0973	1
Echinococcus granulosus	chromobox protein 1	0.0084	0.1186	0.1608
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0012	0.0012
Schistosoma mansoni	cpg binding protein	0.003	0.0196	0.0196
Schistosoma mansoni	cpg binding protein	0.0034	0.0266	0.0266
Echinococcus granulosus	dnaJ subfamily C 6	0.0066	0.0851	0.1155
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.6291	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0116	0.0105
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0973	0.0283
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0142	0.0193
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0382	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0621	0.061
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0298	0.2121
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1895	0.6865
Echinococcus multilocularis	muscleblind protein	0.0166	0.268	0.3635
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1268	0.1258
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0754	0.1023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0973	0.0867
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.2554	0.3465
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Trypanosoma brucei	glucosidase, putative	0.0035	0.0298	0.0294
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0973	0.0283
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0298	0.0271
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0298	0.0404
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0142	0.0193
Echinococcus granulosus	histone lysine methyltransferase setb	0.002	0.0012	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0262	0.0235
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2796	0.4339
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1444	0.1959
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.1186	0.1161
Brugia malayi	Muscleblind-like protein	0.0166	0.268	0.2594
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1444	0.1959
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0012	0.0001
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0089	0.1272	0.1726
Schistosoma mansoni	hypothetical protein	0.0089	0.1272	0.1272
Loa Loa (eye worm)	transcription factor SMAD2	0.0242	0.4067	0.406
Loa Loa (eye worm)	mbt repeat family protein	0.0053	0.0621	0.061
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0089	0.1272	0.1726
Toxoplasma gondii	ABC1 family protein	0.0072	0.0973	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.058	0.0569
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0973	0.0224
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0209	0.3461	0.4695
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0298	0.0271
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0767	0.0767
Brugia malayi	mbt repeat family protein	0.0053	0.0621	0.051
Echinococcus multilocularis	cpg binding protein	0.0034	0.0266	0.0361
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0578	0.1542
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1895	0.1885
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0973	0.5
Loa Loa (eye worm)	apoptosis regulator protein	0.0089	0.1272	0.1262
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0973	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0513	0.0502
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0053	0.0621	0.0842
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0068	0.0895	0.1213
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2833	0.2812
Schistosoma mansoni	alpha-glucosidase	0.0137	0.215	0.215
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0305	0.0305
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0754	0.1023
Schistosoma mansoni	alpha glucosidase	0.0035	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0287	0.0276
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0973	0.132
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0513	0.0486
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.058	0.047
Onchocerca volvulus		0.0072	0.0973	0.314
Brugia malayi	MH2 domain containing protein	0.0242	0.4067	0.3998
Echinococcus granulosus	muscleblind protein	0.0166	0.268	0.3635
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1268	0.1258
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0767	0.7588
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0588	0.0764
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0298	0.0294
Brugia malayi	beta-lactamase family protein	0.0072	0.0973	0.0867
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0287	0.0173
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.2554	0.2545
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0298	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0142	0.0142
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0463	0.8079	1
Echinococcus multilocularis	zinc finger protein	0.0023	0.0082	0.0111
Echinococcus granulosus	cpg binding protein	0.0034	0.0266	0.0361
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0588	0.0764
Onchocerca volvulus		0.0072	0.0973	0.314
Mycobacterium ulcerans	hypothetical protein	0.0192	0.315	0.2582
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.2554	0.2467
Onchocerca volvulus		0.0162	0.2606	0.9741
Loa Loa (eye worm)	hypothetical protein	0.0166	0.268	0.2671
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0089	0.1272	0.1726
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0973	0.0948
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0973	0.0948
Brugia malayi	hypothetical protein	0.0162	0.2606	0.2519
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0767	0.0767
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1444	0.1959
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.058	0.047
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0973	0.1388
Schistosoma mansoni	bromodomain containing protein	0.0072	0.0967	0.0967
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0578	0.0552
Onchocerca volvulus	Glucosylceramidase homolog	0.0166	0.267	1
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0973	0.0283
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.1444	0.1434
Echinococcus multilocularis	muscleblind protein 1	0.0166	0.268	0.3635
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0973	0.1388
Schistosoma mansoni	hypothetical protein	0.0424	0.7372	0.7372
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0804	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1272	0.1262
Brugia malayi	mbt repeat family protein	0.0053	0.0621	0.051
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0588	0.0764
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0298	0.0271
Schistosoma mansoni	hypothetical protein	0.0066	0.0851	0.0851
Schistosoma mansoni	hypothetical protein	0.0189	0.3086	0.3086
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0196	0.0185
Brugia malayi	CXXC zinc finger family protein	0.003	0.0196	0.0081
Schistosoma mansoni	hypothetical protein	0.0189	0.3086	0.3086
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0754	0.1023
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.1444	0.1343
Trichomonas vaginalis	esterase, putative	0.0072	0.0973	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0166	0.268	0.2671
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.2554	0.3465
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0588	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0973	0.0963
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0973	0.0283
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0116	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0767	0.104
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0973	0.0948
Loa Loa (eye worm)	MH2 domain-containing protein	0.0242	0.4067	0.406
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0973	0.132
Schistosoma mansoni	apoptosis regulator bax	0.0089	0.1272	0.1272
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0621	0.0621
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0298	0.0271
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0754	0.0646
Echinococcus granulosus	chromobox protein 1	0.0084	0.1186	0.1608
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0305	0.0414
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0305	0.0414
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0973	0.0948
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0973	0.0283
Brugia malayi	beta-lactamase	0.0072	0.0973	0.0867
Schistosoma mansoni	eyes absent homolog	0.0089	0.1268	0.1268
Brugia malayi	hypothetical protein	0.0036	0.0305	0.0191
Schistosoma mansoni	hypothetical protein	0.0036	0.0305	0.0305
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2796	0.4339
Schistosoma mansoni	chromobox protein	0.0084	0.1186	0.1186
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0066	0.0851	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0549	0.0538
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0262	0.0235
Brugia malayi	DnaJ domain containing protein	0.0066	0.0851	0.0744
Schistosoma mansoni	zinc finger protein	0.0023	0.0082	0.0082
Echinococcus granulosus	SAM and MBT domain containing protein	0.0053	0.0621	0.0842
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0298	0.0271
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0298	0.0184
Brugia malayi	hypothetical protein	0.0089	0.1268	0.1166
Schistosoma mansoni	hypothetical protein	0.0035	0.0287	0.0287
Trichomonas vaginalis	glucosylceramidase, putative	0.0166	0.267	0.265
Toxoplasma gondii	hypothetical protein	0.0059	0.0725	0.7104
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.6291	1
Loa Loa (eye worm)	MBCTL1	0.006	0.0754	0.0743
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0973	0.0283
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0513	0.1279
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Entamoeba histolytica	hypothetical protein	0.0036	0.0305	1
Brugia malayi	PHD-finger family protein	0.0029	0.019	0.0075
Entamoeba histolytica	hypothetical protein	0.0036	0.0305	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1444	0.1444
Brugia malayi	Bromodomain containing protein	0.0043	0.043	0.0318
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.0621	0.0621
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0253	0.4251	0.4244
Onchocerca volvulus		0.0072	0.0973	0.314
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0792	0.1094
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0973	0.1388
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0578	0.0552
Brugia malayi	beta-lactamase family protein	0.0072	0.0973	0.0867
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0973	0.0963
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0767	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1895	0.1885
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0068	0.0895	0.1213
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0298	0.0271
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0973	0.5
Onchocerca volvulus		0.0037	0.0327	0.0529
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0298	0.0294
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0973	0.0973
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0382	0.0519
Echinococcus multilocularis	chromobox protein 1	0.0084	0.1186	0.1608
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0973	0.0963
Brugia malayi	Heterochromatin protein 1	0.0084	0.1186	0.1082
Echinococcus granulosus	dnaJ subfamily B	0.0424	0.7372	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0729	0.7151
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0209	0.3461	0.4695
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.002	0.0012	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0513	0.0486
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0253	0.4251	0.4183
Echinococcus granulosus	geminin	0.0189	0.3086	0.4187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0973	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0432	0.042
Brugia malayi	chromobox protein homolog 3	0.0047	0.0513	0.0401
Entamoeba histolytica	hypothetical protein	0.0036	0.0305	1
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1895	0.6865
Mycobacterium ulcerans	lipase LipD	0.0072	0.0973	0.0224
Echinococcus granulosus	zinc finger protein	0.0023	0.0082	0.0111
Trichomonas vaginalis	glucosylceramidase, putative	0.0253	0.4251	0.4234
Schistosoma mansoni	hypothetical protein	0.0323	0.5527	0.5527
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0089	0.1272	0.1272
Brugia malayi	hypothetical protein	0.0123	0.1895	0.1799
Leishmania major	hypothetical protein, conserved	0.0072	0.0973	0.1388
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0973	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0051	0.058	0.0569
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.1186	0.1175
Echinococcus multilocularis	dnaJ subfamily B	0.0424	0.7372	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0973	0.0283
Echinococcus multilocularis	chromobox protein 1	0.0084	0.1186	0.1608
Loa Loa (eye worm)	hypothetical protein	0.006	0.0754	0.0743

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.3162 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	0.5221 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1399230

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1287012