TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.765 | Formula: C14H12ClNO8S
H donors: 2 H acceptors: 6 LogP: 4.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(=O)OCOC(=O)c1sc2c(c1Cl)cc(c(c2[N+](=O)[O-])O)O)C
InChi: 1S/C14H12ClNO8S/c1-5(2)13(19)23-4-24-14(20)12-8(15)6-3-7(17)10(18)9(16(21)22)11(6)25-12/h3,5,17-18H,4H2,1-2H3
InChiKey: NUZAARCKGCFLIV-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	catechol-O-methyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	Get druggable targets OG5_131164	All targets in OG5_131164
Mycobacterium ulcerans	O-methyltransferase	Get druggable targets OG5_131164	All targets in OG5_131164
Candida albicans	hypothetical protein	Get druggable targets OG5_131164	All targets in OG5_131164
Candida albicans	potential catechol-O-methyltransferase	Get druggable targets OG5_131164	All targets in OG5_131164

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Giardia lamblia	Hypothetical protein	catechol-O-methyltransferase	271 aa	220 aa	20.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	O-methyltransferase family protein	0.0072	0.0702	0.2397
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0245	0.7411
Onchocerca volvulus		0.0056	0.0508	0.6549
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0304	0.0817
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.014	0.0116
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0304	0.027
Onchocerca volvulus		0.0049	0.0428	0.513
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0034	0.0916
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0038	0.0304	0.7366
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.014	0.0089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.014	0.3713
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.0501	0.1415
Echinococcus multilocularis	lamin	0.0056	0.0508	0.0475
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0034	0.0257	0.0223
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.0304	0.3069
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.0304	0.0699
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0208	0.0526
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.014	0.0089
Brugia malayi	intermediate filament protein	0.0056	0.0508	0.17
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0187	0.4466
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.0304	0.0699
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0295	0.2927
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0272	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0034	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0034	0.0916
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0249	0.0271
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0126	0.2667
Mycobacterium ulcerans	O-methyltransferase	0.0697	0.7953	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0257	0.8057
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0101	0.1955
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1056	0.3096
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.014	0.205
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0069	0.0106
Mycobacterium ulcerans	methyltransferase	0.0072	0.0702	0.0802
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.1056	0.3096
Echinococcus granulosus	lamin	0.0056	0.0508	0.1227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0207	0.5501
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0295	0.0261
Echinococcus granulosus	snurportin 1	0.0299	0.3333	0.8553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.014	0.3713
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.1355	0.4002
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.1056	0.3669
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0105	0.207
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0295	0.507
Schistosoma mansoni	o-methyltransferase	0.0072	0.0702	0.173
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0187	0.0463
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.024	0.0206
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0034	0.0257	0.0282
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0034	0.0257	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0174	0.0422
Schistosoma mansoni	hypothetical protein	0.007	0.0678	0.1669
Schistosoma mansoni	hypothetical protein	0.0033	0.024	0.0532
Entamoeba histolytica	hypothetical protein	0.0078	0.0762	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0409	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0069	0.0106
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0304	0.8075
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0069	0.5
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0018	0.0076	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0166	0.4418
Plasmodium falciparum	importin beta, putative	0.0028	0.0187	0.6275
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0257	0.0223
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0304	0.8075
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0271	0.7204
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.0548	0.133
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0409	0.097
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0.0257	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0409	0.097
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0126	0.3339
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.024	0.0737
Schistosoma mansoni	lamin	0.0056	0.0508	0.1227
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0376	0.1228
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.014	0.0089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0249	0.1949
Schistosoma mansoni	importin beta-1	0.0028	0.0187	0.0396
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.0548	0.0694
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0376	0.6663
Schistosoma mansoni	hypothetical protein	0.0033	0.024	0.0532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	0.3333	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.0548	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0126	0.3339
Entamoeba histolytica	hypothetical protein	0.0078	0.0762	1
Giardia lamblia	GTOR	0.0044	0.0376	1
Entamoeba histolytica	hypothetical protein	0.0078	0.0762	1
Brugia malayi	hypothetical protein	0.0255	0.2818	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0376	0.0886
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0376	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Schistosoma mansoni	hypothetical protein	0.0033	0.024	0.0532
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.0304	0.5251
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2818	0.8439
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0.0257	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0702	0.2023
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.0304	0.027
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0069	0.0106
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0376	1
Mycobacterium leprae	PROBABLE METHYLTRANSFERASE	0.0072	0.0702	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0304	0.7881
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0295	0.7828
Brugia malayi	isocitrate dehydrogenase	0.0034	0.0257	0.0799
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0304	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0033	0.024	0.0622
Schistosoma mansoni	ran	0.0021	0.0101	0.0173
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0304	0.0699
Schistosoma mansoni	hypothetical protein	0.0299	0.3333	0.8553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0271	0.7204
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.014	0.0378
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0034	0.0257	0.0577
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.024	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0508	0.1435
Loa Loa (eye worm)	inositol-1	0.0037	0.0295	0.0788
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0465	0.1546
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0174	0.014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0166	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0271	0.7204
Schistosoma mansoni	o-methyltransferase	0.0072	0.0702	0.173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0187	0.6275
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.014	0.0581
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0376	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0101	0.0173
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0376	0.1036
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0295	0.7608
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0304	0.027
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0678	0.2312
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0376	0.4166
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.0762	0.073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0196	0.5205
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0257	0.651
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0548	0.0606
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.014	0.0089
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0.0257	0.651
Onchocerca volvulus		0.0056	0.0508	0.6549
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0295	0.7828
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0169	0.4499
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0376	0.6663
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.014	0.0581
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.0508	0.17
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0101	0.0067
Brugia malayi	Isocitrate dehydrogenase	0.0034	0.0257	0.0799
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0257	0.651
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0376	0.4166
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.024	0.0206
Mycobacterium ulcerans	hypothetical protein	0.0024	0.014	0.0089
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0257	0.0223
Schistosoma mansoni	hypothetical protein	0.0078	0.0762	0.1885
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0376	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0034	0.0916
Brugia malayi	O-methyltransferase family protein	0.0072	0.0702	0.2397
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0101	0.1955
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.014	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0024	0.014	0.0319
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0304	0.7881
Schistosoma mansoni	lamin	0.0056	0.0508	0.1227
Echinococcus granulosus	lamin dm0	0.0056	0.0508	0.1227
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0548	0.133
Echinococcus multilocularis	geminin	0.0347	0.3891	0.387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0139	0.3702
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.014	0.0378
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0295	0.7608
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0069	0.0106
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0548	0.0606
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.0508	0.1435
Onchocerca volvulus		0.0072	0.0702	1
Onchocerca volvulus		0.0072	0.0702	1
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0295	0.0674
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.1056	0.3669
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0174	0.0361
Schistosoma mansoni	intermediate filament proteins	0.0056	0.0508	0.1227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0271	0.7204
Brugia malayi	MH2 domain containing protein	0.0129	0.1355	0.4742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0169	0.4499
Schistosoma mansoni	o-methyltransferase	0.0072	0.0702	0.173
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0101	0.1697
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0257	0.4338
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0101	0.024
Brugia malayi	hypothetical protein	0.0078	0.0762	0.2612
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0257	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0024	0.014	0.0319
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0409	0.0375
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0257	0.8057
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0126	0.3339
Onchocerca volvulus		0.0052	0.0465	0.5788
Schistosoma mansoni	ran	0.0021	0.0101	0.0173
Trichomonas vaginalis	ran, putative	0.0021	0.0101	0.2692
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0034	0.0916
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.0304	0.0699
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0304	0.8075
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0.0257	0.651
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.0386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.014	0.3713
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.014	0.0116
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.024	0.0532
Echinococcus granulosus	GPCR family 2	0.0033	0.024	0.0532
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0126	0.1777
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0295	0.0286
Echinococcus multilocularis	snurportin 1	0.0299	0.3333	0.331
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0376	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0139	0.3702
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.014	0.0378
Echinococcus multilocularis	isocitrate dehydrogenase	0.0034	0.0257	0.0223
Echinococcus multilocularis	survival motor neuron protein 1	0.0255	0.2818	0.2794
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	0.0625	0.7114	1
Echinococcus granulosus	tumor protein p63	0.0333	0.3729	0.958
Loa Loa (eye worm)	hypothetical protein	0.0024	0.014	0.0319
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0101	0.0203
Echinococcus granulosus	geminin	0.0347	0.3891	1
Echinococcus granulosus	intermediate filament protein	0.0056	0.0508	0.1227
Brugia malayi	Importin beta-1 subunit	0.0028	0.0187	0.0548
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0069	0.0016
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0034	0.0257	0.0577
Entamoeba histolytica	hypothetical protein	0.0078	0.0762	1
Brugia malayi	RNA, U transporter 1	0.008	0.0787	0.2702
Mycobacterium tuberculosis	Probable methyltransferase	0.0072	0.0702	0.0912
Schistosoma mansoni	hypothetical protein	0.0347	0.3891	1
Loa Loa (eye worm)	O-methyltransferase	0.0072	0.0702	0.2023
Schistosoma mansoni	hypothetical protein	0.0347	0.3891	1
Brugia malayi	O-methyltransferase family protein	0.0072	0.0702	0.2397
Schistosoma mansoni	o-methyltransferase	0.0072	0.0702	0.173
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0409	0.1344
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.014	0.205
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.0508	0.1435
Trypanosoma cruzi	target of rapamycin kinase 3	0.0035	0.0272	0.6934
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0295	0.0674
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0187	0.0153
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.024	0.0737
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.014	0.3713
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0101	0.1697
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0465	0.1116
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0409	0.1134
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0409	0.097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0139	0.3702
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0187	0.4442
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0304	0.7881
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.014	0.205
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0376	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0428	0.1193
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0271	0.7204
Brugia malayi	Inositol-1	0.0037	0.0295	0.0934
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0187	0.4466
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0428	0.102
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.0548	0.1843
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0496	0.1399
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.0762	0.1885
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0245	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0376	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0301	0.8002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0376	1
Schistosoma mansoni	hypothetical protein	0.0052	0.0465	0.1116
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0035	0.0272	0.462
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0409	0.097
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0101	0.1955
Brugia malayi	O-methyltransferase	0.0072	0.0702	0.2397
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.014	0.0581
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.0762	0.1885
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0376	0.0886
Leishmania major	GTP-binding protein, putative	0.0021	0.0101	0.1302
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0295	0.0674
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0548	0.0515
Echinococcus multilocularis	lamin dm0	0.0056	0.0508	0.0475
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.014	0.0089
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0208	0.0623
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.1355	0.4002
Echinococcus multilocularis	tumor protein p63	0.0333	0.3729	0.3708
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0187	0.0396
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.014	0.0089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0169	0.4499
Loa Loa (eye worm)	hypothetical protein	0.007	0.0678	0.1951
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.024	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0069	0.0106
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0295	0.7608
Echinococcus granulosus	survival motor neuron protein 1	0.0255	0.2818	0.7218
Schistosoma mansoni	hypothetical protein	0.0033	0.024	0.0532
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0295	0.7828
Echinococcus multilocularis	musashi	0.0056	0.0508	0.0475
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.0304	0.0968
Entamoeba histolytica	hypothetical protein	0.0023	0.0126	0.0369
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0295	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.024	0.0206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0409	0.097
Wolbachia endosymbiont of Brugia malayi	O-methyltransferase	0.0072	0.0702	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 17 nM	Inhibition of human recombinant COMT by microplate screening assay	ChEMBL.	20231095
T1/2 (ADMET)	= 5.1 hr	Half life in human serum by HPLC analysis	ChEMBL.	20231095

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: CHEMBL1089537

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1119928