TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.765 | Formula: C14H12ClNO8S
H donors: 2 H acceptors: 6 LogP: 4.24 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)OCOC(=O)c1sc2c(c1Cl)cc(c(c2[N+](=O)[O-])O)O
InChi: 1S/C14H12ClNO8S/c1-2-3-8(18)23-5-24-14(20)13-9(15)6-4-7(17)11(19)10(16(21)22)12(6)25-13/h4,17,19H,2-3,5H2,1H3
InChiKey: NNPPCROKHWSYCR-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
Candida albicans	potential 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
Mycobacterium tuberculosis	Probable 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
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0052	0.0562	0.0952
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0055	0.061	0.405
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0015	0.0029	0.0034
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.0574	0.102
Loa Loa (eye worm)	hypothetical protein	0.0044	0.044	0.0989
Brugia malayi	Tyrosine-protein kinase abl-1	0.0021	0.0114	0.0202
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0136	0.1789	0.3142
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0056	0.0099
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0136	0.1789	0.3178
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0023	0.0135	0.019
Echinococcus granulosus	twitchin	0.0047	0.0485	0.0562
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0056	0.0099
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0562	0.0952
Schistosoma mansoni	o-methyltransferase	0.0072	0.0862	0.1531
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0055	0.061	1
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0015	0.0029	0.0065
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0023	0.0135	0.0603
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0292	0.4075	0.4717
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0031	0.026	0.0412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0398	0.5629	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0024	0.0154	0.0708
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Schistosoma mansoni	o-methyltransferase	0.0072	0.0862	0.1531
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0056	0.0099
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0318	0.4451	0.7895
Echinococcus multilocularis	roundabout 2	0.0049	0.0526	0.0934
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0031	0.026	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0044	0.044	0.0989
Schistosoma mansoni	hypothetical protein	0.0015	0.0029	0.0052
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0055	0.061	0.1371
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0049	0.0516	0.0598
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Loa Loa (eye worm)	phosphatidylinositol 3	0.0031	0.026	0.0584
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0047	0.0488	0.0565
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0053	0.0574	0.0665
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0136	0.1789	0.3142
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0055	0.061	0.1084
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0029	0.0065
Echinococcus multilocularis	Immunoglobulin	0.0044	0.044	0.0782
Schistosoma mansoni	nephrin	0.0046	0.0478	0.0849
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0021	0.0114	0.0202
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0023	0.0135	0.024
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0031	0.026	0.0462
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0029	0.0065
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0055	0.061	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0015	0.0029	0.0034
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0053	0.0574	0.102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Schistosoma mansoni	tyrosine kinase	0.0053	0.0574	0.102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0516	0.0917
Toxoplasma gondii	FATC domain-containing protein	0.0023	0.0135	0.1827
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0053	0.0574	0.0665
Brugia malayi	SRC-1	0.0053	0.0574	0.102
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0442	0.0993
Echinococcus granulosus	neuroglian	0.0046	0.0478	0.0553
Brugia malayi	O-methyltransferase	0.0072	0.0862	0.1531
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0053	0.0574	0.0665
Echinococcus multilocularis	Zinc finger, PHD finger	0.0055	0.061	0.1084
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0194	0.2643	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0031	0.026	0.0462
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0052	0.0562	0.0651
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0052	0.0562	0.918
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0021	0.0114	0.0202
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0179	0.2417	0.4265
Entamoeba histolytica	protein kinase, putative	0.0039	0.0377	0.0622
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0023	0.0135	0.024
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0029	0.0065
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0053	0.0574	0.0665
Echinococcus granulosus	defective proboscis extension response	0.0044	0.044	0.051
Schistosoma mansoni	tyrosine kinase	0.0021	0.0114	0.0202
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0055	0.061	0.1084
Brugia malayi	hypothetical protein	0.0017	0.0056	0.0099
Schistosoma mansoni	tyrosine kinase	0.0017	0.0056	0.0099
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0017	0.0056	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0052	0.0562	0.0999
Brugia malayi	intracellular kinase	0.0052	0.0562	0.0999
Brugia malayi	SH2 domain containing protein	0.0017	0.0056	0.0099
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0029	0.0065
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Entamoeba histolytica	hypothetical protein	0.0023	0.0135	0.019
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0031	0.026	0.1311
Schistosoma mansoni	tyrosine kinase	0.0021	0.0114	0.0202
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0031	0.026	0.0462
Entamoeba histolytica	protein kinase rad3, putative	0.0023	0.0135	0.019
Echinococcus granulosus	tyrosine protein kinase shark	0.0017	0.0056	0.0064
Schistosoma mansoni	tyrosine kinase	0.0017	0.0056	0.0099
Echinococcus granulosus	roundabout 2	0.0049	0.0526	0.0609
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0023	0.0135	0.024
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0053	0.0574	0.102
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0398	0.5629	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Echinococcus granulosus	tyrosine protein kinase HCK	0.0039	0.0377	0.0437
Loa Loa (eye worm)	phosphatidylinositol 3	0.0318	0.4451	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0398	0.5629	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0023	0.0135	0.024
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0604	0.8638	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0398	0.5629	1
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0017	0.0056	0.0099
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0055	0.061	0.0706
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0031	0.026	0.0412
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0015	0.0029	0.0052
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0017	0.0056	0.0047
Brugia malayi	hypothetical protein	0.0044	0.044	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1836	0.4126
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0398	0.5629	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0136	0.1789	0.3142
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3596	0.808
Trypanosoma cruzi	hypothetical protein, conserved	0.0098	0.1238	0.2158
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0096	0.1208	0.4509
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0398	0.5629	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0136	0.1789	0.3142
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.0581	0.0673
Echinococcus granulosus	serine protein kinase ATM	0.0023	0.0135	0.0157
Loa Loa (eye worm)	SRC-1	0.0053	0.0574	0.129
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0031	0.026	0.1609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Onchocerca volvulus		0.0149	0.1984	0.9283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0015	0.0029	0.0052
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.0574	0.102
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0136	0.1789	0.3178
Echinococcus multilocularis	c src tyrosine kinase	0.0021	0.0114	0.0202
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0031	0.026	0.0412
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0023	0.0135	0.0157
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0562	0.0952
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0055	0.061	0.1084
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0055	0.061	0.1037
Brugia malayi	O-methyltransferase family protein	0.0072	0.0862	0.1531
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0135	0.0304
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0398	0.5629	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Schistosoma mansoni	cell adhesion molecule	0.0047	0.0488	0.0867
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0017	0.0056	0.0064
Schistosoma mansoni	o-methyltransferase	0.0072	0.0862	0.1531
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0136	0.1789	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0055	0.061	0.1037
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0015	0.0029	0.0052
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.012	0.1563	0.2739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0259	0.3596	0.6388
Echinococcus multilocularis	neuroglian	0.0046	0.0478	0.0849
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0055	0.061	0.1084
Mycobacterium tuberculosis	Probable methyltransferase	0.0072	0.0862	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	tyrosine protein kinase shark	0.0017	0.0056	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0044	0.044	0.0782
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0275	0.3822	0.6773
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0041	0.0403	0.0715
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0055	0.061	0.1037
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0031	0.026	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0488	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0044	0.044	0.0989
Giardia lamblia	GTOR	0.0031	0.026	0.0883
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0055	0.061	0.3301
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0031	0.026	0.1609
Brugia malayi	O-methyltransferase family protein	0.0072	0.0862	0.1531
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0053	0.0574	0.102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0154	0.0222
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0053	0.0574	0.102
Echinococcus granulosus	tyrosine kinase	0.0017	0.0056	0.0064
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0044	0.044	0.0782
Onchocerca volvulus		0.0072	0.0862	0.3954
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0052	0.0562	0.3718
Onchocerca volvulus		0.0052	0.0562	0.2533
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0031	0.026	0.0412
Onchocerca volvulus	Tyrosine kinase homolog	0.0159	0.2135	1
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0015	0.0029	0.0052
Loa Loa (eye worm)	phosphatidylinositol 3	0.0031	0.026	0.0584
Loa Loa (eye worm)	O-methyltransferase	0.0072	0.0862	0.1936
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0023	0.0135	0.019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0055	0.061	1
Echinococcus granulosus	tyrosine kinase	0.0049	0.0516	0.0598
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0031	0.026	0.0301
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0055	0.061	0.405
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0052	0.0562	0.0999
Echinococcus multilocularis	tyrosine kinase	0.0017	0.0056	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0044	0.044	0.0782
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0031	0.026	0.1311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Wolbachia endosymbiont of Brugia malayi	O-methyltransferase	0.0072	0.0862	0.5
Entamoeba histolytica	protein kinase, putative	0.0052	0.0562	0.0952
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0031	0.026	0.1609
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0017	0.0056	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Trypanosoma cruzi	target of rapamycin kinase 3	0.0031	0.026	0.0412
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0398	0.5629	0.6517
Schistosoma mansoni	o-methyltransferase	0.0072	0.0862	0.1531
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0021	0.0114	0.0202
Schistosoma mansoni	tyrosine kinase	0.0014	0.0002	0.0004
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0136	0.1789	0.3142
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.0562	0.204
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.0574	0.0665
Entamoeba histolytica	hypothetical protein	0.0318	0.4451	0.7895
Echinococcus granulosus	tyrosine protein kinase Srms	0.0017	0.0056	0.0064
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0204	0.2782	0.6251
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0053	0.0574	0.102
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0029	0.0052
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0031	0.026	0.1609
Loa Loa (eye worm)	TK protein kinase	0.0049	0.0516	0.116
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0383	0.5403	0.9597
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0015	0.0029	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0031	0.026	0.0462
Loa Loa (eye worm)	phosphatidylinositol 3	0.012	0.1563	0.3512
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.0562	0.204
Onchocerca volvulus		0.0017	0.0056	0.0126
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0562	0.1264
Trypanosoma brucei	protein kinase, putative	0.0052	0.0562	0.3031
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0136	0.1789	0.3142
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0056	0.0099
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0039	0.0377	0.067
Echinococcus multilocularis	Immunoglobulin	0.0044	0.044	0.0782
Echinococcus granulosus	protein kinase shaggy	0.0052	0.0562	0.0651
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0526	0.1181
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0398	0.5629	1
Echinococcus granulosus	c src tyrosine kinase	0.0021	0.0114	0.0131
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0023	0.0135	0.019
Loa Loa (eye worm)	hypothetical protein	0.0044	0.044	0.0989
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0049	0.0516	0.0917
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0031	0.026	0.0412
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0023	0.0135	0.024
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0398	0.5629	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0292	0.4075	0.7239
Onchocerca volvulus		0.0017	0.0056	0.0126
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0275	0.3822	0.6773
Onchocerca volvulus		0.0072	0.0862	0.3954
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0049	0.0516	0.0917
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0015	0.0029	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0031	0.026	0.0462
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0031	0.026	0.3972
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0862	0.1936
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0041	0.0403	0.0466
Schistosoma mansoni	vesicular amine transporter	0.0044	0.044	0.0782
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0031	0.026	0.1311
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0204	0.2782	0.4942
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0053	0.0574	0.102
Onchocerca volvulus		0.0017	0.0056	0.0126
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0562	0.1264
Onchocerca volvulus		0.0017	0.0056	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Onchocerca volvulus		0.0017	0.0056	0.0126
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Loa Loa (eye worm)	TK protein kinase	0.0039	0.0377	0.0848
Echinococcus multilocularis		0.0015	0.0029	0.0052
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0031	0.026	0.0301
Echinococcus multilocularis	protein kinase shaggy	0.0052	0.0562	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0044	0.044	0.0989
Brugia malayi	O-methyltransferase family protein	0.0072	0.0862	0.1531
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.0574	0.0665
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0053	0.0574	0.102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0031	0.026	0.1609
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0053	0.0574	0.0665
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0055	0.061	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0029	0.0065
Brugia malayi	SH2 domain containing protein	0.0017	0.0056	0.0099
Leishmania major	hypothetical protein, conserved	0.0114	0.1463	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0055	0.061	0.1037
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0056	0.0125
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0031	0.026	0.0412
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0562	0.0952
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0024	0.0154	0.2144
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0562	0.0952
Schistosoma mansoni	tyrosine kinase	0.0053	0.0574	0.102
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0056	0.0099
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0052	0.0562	0.918
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0055	0.061	0.1037
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0055	0.061	0.1037
Echinococcus multilocularis	serine protein kinase ATM	0.0023	0.0135	0.024
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0023	0.0135	0.019
Plasmodium falciparum	glycogen synthase kinase 3	0.0052	0.0562	0.918
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0044	0.044	0.0782
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0031	0.026	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0154	0.0345
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0526	0.1181
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0029	0.0052
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0055	0.061	0.0706
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Brugia malayi	protein-tyrosine kinase	0.0049	0.0516	0.0917
Echinococcus granulosus	tyrosine protein kinase Blk	0.0049	0.0516	0.0598
Brugia malayi	Fibronectin type III domain containing protein	0.0044	0.044	0.0782
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.0056	0.0125
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0021	0.0114	0.0131
Echinococcus granulosus	Immunoglobulin	0.0044	0.044	0.051
Mycobacterium tuberculosis	Probable catechol-O-methyltransferase	0.0625	0.8942	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.026	0.0412
Onchocerca volvulus		0.0017	0.0056	0.0126
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0259	0.3596	0.4163
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0029	0.0052
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0154	0.0222
Loa Loa (eye worm)	TK/ABL protein kinase	0.0017	0.0056	0.0125
Mycobacterium leprae	PROBABLE METHYLTRANSFERASE	0.0072	0.0862	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0259	0.3596	0.6388
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0055	0.061	0.1037

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 10.6 nM	Inhibition of human recombinant COMT by microplate screening assay	ChEMBL.	20231095
T1/2 (ADMET)	= 5.3 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: CHEMBL1089539

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1130419