TDR Targets

Basic information

Technical information

TDR Targets ID: 1439209
Name: (2-fluorophenyl)methyl 3-(4-methylphenyl)sulf onylpropanoate
MW: 336.378 | Formula: C17H17FO4S
H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCS(=O)(=O)c1ccc(cc1)C)OCc1ccccc1F
InChi: 1S/C17H17FO4S/c1-13-6-8-15(9-7-13)23(20,21)11-10-17(19)22-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3
InChiKey: MEPWKOOLZNRMBB-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

3-(4-methylphenyl)sulfonylpropanoic acid (2-fluorophenyl)methyl ester
3-(4-methylphenyl)sulfonylpropionic acid (2-fluorobenzyl) ester
2-fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
ZINC02868484
SMR000295495
MLS000672618

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Protein kinase domain containing protein	0.0076	0.0595	0.1081
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1075
Echinococcus granulosus	twitchin	0.0029	0.0038	0.0017
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0102	0.0913	0.1658
Giardia lamblia	Kinase, CMGC CDK	0.0102	0.0913	0.3168
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0096	0.0841	0.8758
Echinococcus granulosus	serine:threonine protein kinase N2	0.0136	0.1313	0.3342
Schistosoma mansoni	protein kinase	0.0145	0.1414	0.2588
Onchocerca volvulus		0.0074	0.0581	0.1566
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0568	0.5
Echinococcus granulosus	cyclin dependent kinase 5	0.0102	0.0913	0.2298
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0062	0.0439	0.0798
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0118	0.1101	0.2788
Echinococcus granulosus	Vam6:Vps39 protein	0.0106	0.0955	0.2409
Leishmania major	protein kinase, putative	0.0076	0.0595	0.6099
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0106	0.0955	1
Loa Loa (eye worm)	gastrulation defective protein 1	0.0138	0.1331	0.2419
Echinococcus multilocularis	casein kinase I alpha	0.0052	0.0315	0.0284
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0084	0.07	0.1273
Echinococcus granulosus	casein kinase I alpha	0.0052	0.0315	0.0739
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.0188	0.1933	0.4959
Onchocerca volvulus		0.0052	0.0315	0.0553
Loa Loa (eye worm)	STE/STE20/MST protein kinase	0.0247	0.2632	0.4781
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.018	0.1834	0.3332
Schistosoma mansoni	protein kinase	0.0029	0.0039	0.0014
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0145	0.1414	0.3606
Entamoeba histolytica	protein kinase, putative	0.0062	0.0439	0.2246
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0606	0.11
Echinococcus multilocularis	serine:threonine protein kinase 3	0.0247	0.2632	0.2609
Toxoplasma gondii	casein kinase I	0.0052	0.0315	0.3217
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0076	0.0595	0.6227
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0062	0.0439	0.4631
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.0812
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0489	0.5504	1
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0067	0.0487	0.4044
Entamoeba histolytica	protein kinase domain containing protein	0.0062	0.0439	0.2246
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0062	0.0439	0.4417
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0841	0.1515
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0096	0.0841	0.9183
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0913	0.3263
Echinococcus multilocularis	cyclin dependent kinase 1	0.0102	0.0913	0.0884
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0076	0.0595	0.6227
Leishmania major	casein kinase, putative	0.0052	0.0315	0.3068
Echinococcus multilocularis	cyclin dependent kinase 19	0.015	0.1477	0.145
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0031	0.0069	0.0038
Giardia lamblia	Kinase, CMGC GSK	0.0062	0.0439	0.1453
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0106	0.0955	0.9997
Trypanosoma cruzi	casein kinase, putative	0.0052	0.0315	0.185
Echinococcus multilocularis	cyclin dependent kinase 7	0.0093	0.0802	0.0773
Brugia malayi	probable protein kinase	0.0244	0.2598	0.4719
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.018	0.1834	0.47
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1075
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.211
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0096	0.0841	0.8799
Giardia lamblia	Kinase, AGC PKA	0.0096	0.0841	0.2907
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0077	0.0606	0.1101
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0606	0.11
Brugia malayi	Protein kinase domain containing protein	0.018	0.1834	0.3332
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0102	0.0913	0.1658
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.0052	0.0315	0.185
Echinococcus multilocularis	protein kinase c iota type	0.0031	0.0069	0.0038
Plasmodium falciparum	glycogen synthase kinase 3	0.0062	0.0439	0.4631
Echinococcus granulosus	serine:threonine protein kinase 3	0.0247	0.2632	0.6781
Onchocerca volvulus		0.0261	0.2797	1
Schistosoma mansoni	serine/threonine protein kinase	0.0261	0.2797	0.5177
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0568	0.5809
Brugia malayi	cell division control protein 2 homolog	0.0102	0.0913	0.1658
Echinococcus granulosus	dual specificity protein kinase clk2	0.0076	0.0595	0.147
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0028	0.0031	0.0057
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0106	0.0955	0.1729
Loa Loa (eye worm)	CMGC/CDK/CDK8 protein kinase	0.015	0.1477	0.2683
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0802	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0031	0.0057
Trichomonas vaginalis	STE family protein kinase	0.0029	0.0039	0.0138
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0069	0.0071
Trypanosoma brucei	STE20-like serine/threonine-protein kinase 1, putative	0.0067	0.0487	0.51
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0955	0.1735
Trichomonas vaginalis	AGC family protein kinase	0.0096	0.0841	0.3006
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0029	0.0039	0.0019
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.0117	0.1081	0.1964
Echinococcus granulosus	serine:threonine protein kinase N2	0.0159	0.1589	0.4063
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.0106	0.0955	0.2409
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.0812
Echinococcus multilocularis	cyclin dependent kinase 9	0.006	0.0405	0.0375
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0096	0.0841	0.854
Echinococcus multilocularis	casein kinase I delta	0.0052	0.0315	0.0284
Giardia lamblia	Kinase, CMGC CLK	0.0076	0.0595	0.2017
Echinococcus multilocularis	PAK box P21 Rho binding	0.0029	0.0039	0.0007
Entamoeba histolytica	protein kinase domain containing protein	0.006	0.0405	0.2071
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0439	0.1571
Plasmodium vivax	serine/threonine kinase-1, putative	0.0076	0.0595	0.6396
Trichomonas vaginalis	CAMK family protein kinase	0.0028	0.0031	0.0112
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0062	0.0439	0.0764
Brugia malayi	protein kinase C II.	0.0031	0.0069	0.0125
Echinococcus multilocularis	cyclin dependent kinase 1	0.0102	0.0913	0.0884
Entamoeba histolytica	protein kinase, putative	0.0106	0.0955	0.4883
Echinococcus granulosus	casein kinase I delta	0.0052	0.0315	0.0739
Brugia malayi	Protein kinase domain containing protein	0.0106	0.0955	0.1736
Echinococcus multilocularis	casein kinase I delta	0.0052	0.0315	0.0284
Trichomonas vaginalis	CMGC family protein kinase	0.0261	0.2797	1
Schistosoma mansoni	protein kinase	0.0244	0.2598	0.4803
Schistosoma mansoni	tyrosine kinase	0.0229	0.2419	0.447
Schistosoma mansoni	serine/threonine protein kinase	0.0106	0.0955	0.173
Loa Loa (eye worm)	hypothetical protein	0.0064	0.046	0.0837
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0052	0.0315	0.0572
Trypanosoma cruzi	casein kinase, putative	0.0052	0.0315	0.185
Brugia malayi	Hr1 repeat family protein	0.0159	0.1589	0.2887
Loa Loa (eye worm)	CDC7 protein kinase	0.0261	0.2797	0.5081
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0096	0.0841	0.1527
Schistosoma mansoni	protein kinase C mu	0.0084	0.07	0.1253
Entamoeba histolytica	casein kinase 1, putative	0.0052	0.0315	0.1609
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0029	0.0039	0.0007
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0802	0.1443
Brugia malayi	hypothetical protein	0.0106	0.0955	0.1735
Schistosoma mansoni	kinase	0.006	0.0405	0.07
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0159	0.1589	0.1563
Trypanosoma brucei	casein kinase I, isoform 2	0.0052	0.0315	0.3295
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.0812
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.0812
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0606	0.11
Echinococcus granulosus	cyclin dependent kinase 9	0.0068	0.0504	0.1232
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0568	0.1005
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0096	0.0841	0.8758
Echinococcus granulosus	cyclin dependent kinase 1	0.0102	0.0913	0.2298
Echinococcus granulosus	CDC7 cell division cycle 7	0.0261	0.2797	0.7212
Echinococcus granulosus	hypothetical protein	0.0063	0.045	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0094	0.081	0.1472
Entamoeba histolytica	protein kinase, putative	0.0106	0.0955	0.4883
Echinococcus granulosus	casein kinase I alpha	0.0052	0.0315	0.0739
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0096	0.0841	0.8799
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.0913	0.165
Echinococcus granulosus	cyclin dependent kinase	0.0102	0.0913	0.2298
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0106	0.0955	0.9997
Loa Loa (eye worm)	CMGC/DYRK/HIPK protein kinase	0.019	0.1957	0.3555
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0029	0.0039	0.0019
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0028	0.0031	0.0057
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0439	0.1571
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0073	0.026
Entamoeba histolytica	protein kinase domain containing protein	0.0106	0.0955	0.4883
Echinococcus multilocularis	homeodomain interacting protein kinase 3	0.019	0.1957	0.1931
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0096	0.0841	0.854
Brugia malayi	Protein kinase domain containing protein	0.0261	0.2797	0.5081
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0102	0.0913	0.1658
Echinococcus multilocularis	casein kinase i	0.0052	0.0315	0.0284
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0096	0.0841	0.1527
Loa Loa (eye worm)	CMGC/CDK/CDK7 protein kinase	0.0093	0.0802	0.1457
Entamoeba histolytica	p21-activated kinase	0.0031	0.0064	0.0329
Trypanosoma brucei	cdc2-related kinase 3	0.0102	0.0913	0.9552
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0069	0.0071
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.0106	0.0955	0.0927
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0062	0.0439	0.4631
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0076	0.0595	0.5414
Brugia malayi	Temporarily assigned gene name protein 59	0.0106	0.0955	0.1735
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1075
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0084	0.07	0.1273
Schistosoma mansoni	serine/threonine protein kinase	0.018	0.1834	0.3374
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0101	0.0901	0.1636
Plasmodium falciparum	protein serine/threonine kinase-1	0.0076	0.0595	0.6396
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.1195	0.2179
Schistosoma mansoni	serine/threonine protein kinase	0.0076	0.0595	0.1055
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0102	0.0913	0.9537
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0138	0.134	0.2435
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0029	0.0039	0.0007
Loa Loa (eye worm)	hypothetical protein	0.009	0.0767	0.1394
Toxoplasma gondii	AGC kinase	0.0096	0.0841	0.9183
Echinococcus multilocularis	protein kinase c epsilon type	0.0031	0.0069	0.0038
Trypanosoma cruzi	casein kinase, putative	0.0052	0.0315	0.185
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0062	0.0439	0.1064
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0096	0.0841	0.9183
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.211
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0052	0.0315	0.0572
Echinococcus granulosus	protein kinase	0.0138	0.134	0.3413
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0067	0.0487	0.4044
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0955	0.1735
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0076	0.0595	0.5414
Trypanosoma brucei	cdc2-related kinase 1	0.0102	0.0913	0.9552
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0031	0.0069	0.0125
Echinococcus multilocularis		0.0138	0.134	0.1313
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0096	0.0841	0.1527
Leishmania major	protein kinase, putative	0.0067	0.0487	0.4935
Schistosoma mansoni	serine/threonine protein kinase	0.0166	0.1663	0.3054
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0841	0.1515
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1075
Echinococcus granulosus	casein kinase I alpha	0.0052	0.0315	0.0739
Echinococcus multilocularis	tyrosine protein kinase shark	0.0235	0.2482	0.2459
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0106	0.0955	0.1736
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0106	0.0955	0.9998
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.018	0.1834	0.3332
Trichomonas vaginalis	STE family protein kinase	0.0067	0.0487	0.1742
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0606	0.0576
Onchocerca volvulus		0.0064	0.046	0.1108
Brugia malayi	serine/threonine-protein kinase PAK 7	0.0205	0.2128	0.3867
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0062	0.0439	0.0798
Echinococcus multilocularis	dual specificity	0.0106	0.0955	0.0927
Brugia malayi	casein kinase I	0.0052	0.0315	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0232	0.2452	0.4455
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0096	0.0841	0.8799
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0076	0.0595	0.6396
Echinococcus granulosus	protein kinase c iota type	0.0031	0.0069	0.0098
Echinococcus granulosus	cyclin dependent kinase 7	0.0093	0.0802	0.201
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0106	0.0955	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0841	0.1527
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.018	0.1834	0.6334
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0062	0.0439	0.3435
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0098	0.0866	0.4428
Onchocerca volvulus		0.0261	0.2797	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0606	0.11
Schistosoma mansoni	serine/threonine protein kinase	0.015	0.1477	0.2705
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.0188	0.1933	0.1908
Brugia malayi	STE20-like kinase MST	0.0247	0.2632	0.4781
Trypanosoma cruzi	cdc2-related kinase 1	0.0102	0.0913	0.9456
Leishmania major	protein kinase, putative	0.0076	0.0595	0.6099
Echinococcus granulosus	homeodomain interacting protein kinase 3	0.019	0.1957	0.502
Plasmodium vivax	casein kinase 1, putative	0.0052	0.0315	0.3217
Schistosoma mansoni	protein kinase	0.0145	0.1414	0.2588
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0159	0.1589	0.2887
Giardia lamblia	Kinase, CMGC GSK	0.0062	0.0439	0.1453
Plasmodium vivax	protein kinase Crk2	0.0102	0.0913	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0568	0.0539
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0568	0.14
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.0351	0.3866	0.7024
Trypanosoma cruzi	casein kinase, putative	0.0052	0.0315	0.185
Echinococcus granulosus	cyclin dependent kinase 9	0.006	0.0405	0.0975
Schistosoma mansoni	serine/threonine protein kinase	0.0159	0.1589	0.2916
Onchocerca volvulus		0.0153	0.1518	0.5131
Echinococcus granulosus	cyclin dependent kinase 19	0.015	0.1477	0.3769
Echinococcus multilocularis	cyclin dependent kinase	0.0102	0.0913	0.0884
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.0084	0.0695	0.1731
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0076	0.0595	0.0565
Trichomonas vaginalis	STE family protein kinase	0.0029	0.0039	0.0138
Giardia lamblia	Kinase, STE STE20	0.0067	0.0487	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0581	0.1055
Onchocerca volvulus		0.0072	0.0555	0.1468
Trichomonas vaginalis	CK1 family protein kinase	0.0052	0.0315	0.1125
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0405	0.07
Echinococcus multilocularis	casein kinase I alpha	0.0052	0.0315	0.0284
Trichomonas vaginalis	CK1 family protein kinase	0.0052	0.0315	0.1125
Brugia malayi	TAR-binding protein	0.0076	0.0606	0.11
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0096	0.0841	0.854
Echinococcus multilocularis	cyclin dependent kinase 5	0.0102	0.0913	0.0884
Giardia lamblia	Kinase, CMGC CDK	0.0102	0.0913	0.3168
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0062	0.0439	0.0409
Onchocerca volvulus		0.0062	0.0439	0.1028
Echinococcus granulosus	protein kinase shaggy	0.0062	0.0439	0.1064
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0126	0.1195	0.1168
Entamoeba histolytica	serine/threonine protein kinase STE20, putative	0.0067	0.0487	0.249
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0106	0.0955	1
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0096	0.0841	0.9183
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0315	0.0531
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0568	0.5
Leishmania major	protein kinase A catalytic subunit	0.0096	0.0841	0.8758
Echinococcus granulosus	tyrosine protein kinase shark	0.0235	0.2482	0.639
Echinococcus multilocularis		0.0063	0.045	0.042
Trichomonas vaginalis	STE family protein kinase	0.0029	0.0039	0.0138
Loa Loa (eye worm)	thyroid receptor interactor	0.0075	0.0592	0.1076
Entamoeba histolytica	protein kinase, putative	0.0031	0.0064	0.0329
Entamoeba histolytica	cell division protein kinase 2, putative	0.0111	0.1011	0.5168
Brugia malayi	Protein kinase domain containing protein	0.0351	0.3866	0.7024
Brugia malayi	Homeodomain interacting protein kinase protein 1	0.019	0.1957	0.3555
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.018	0.1834	0.1808
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.018	0.1834	0.3332
Brugia malayi	casein kinase 1, delta	0.0052	0.0315	0.0572
Schistosoma mansoni	serine/threonine protein kinase	0.0478	0.5374	1
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0028	0.0031	0.0327
Schistosoma mansoni	ste20-related kinase	0.0193	0.1988	0.3662
Schistosoma mansoni	serine/threonine protein kinase	0.0245	0.2609	0.4825
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0232	0.2452	0.6312
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0096	0.0841	0.854
Entamoeba histolytica	protein kinase, putative	0.0028	0.0031	0.016
Brugia malayi	intracellular kinase	0.0062	0.0439	0.0798
Loa Loa (eye worm)	CK1/CK1/CK1-D protein kinase	0.0052	0.0315	0.0572
Schistosoma mansoni	serine/threonine protein kinase	0.0076	0.0595	0.1055
Brugia malayi	Protein kinase domain containing protein	0.015	0.1477	0.2683
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0351	0.3866	1
Entamoeba histolytica	protein kinase domain containing protein	0.0062	0.0439	0.2246
Echinococcus multilocularis	myosin iiia	0.0067	0.0487	0.0457
Schistosoma mansoni	protein kinase	0.0351	0.3866	0.7178
Brugia malayi	Protein kinase domain containing protein	0.0489	0.5504	1
Trichomonas vaginalis	CMGC family protein kinase	0.0261	0.2797	1
Toxoplasma gondii	AGC kinase	0.0096	0.0841	0.9183
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0568	0.6091
Trichomonas vaginalis	STE family protein kinase	0.0029	0.0039	0.0138
Onchocerca volvulus		0.0106	0.0955	0.299
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0261	0.2797	0.2774
Echinococcus multilocularis	cyclin dependent kinase 9	0.0068	0.0504	0.0474
Trichomonas vaginalis	CK1 family protein kinase	0.0052	0.0315	0.1125
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.006	0.0405	0.0736
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0913	0.3263
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.0913	0.165
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0606	0.1075
Schistosoma mansoni	atypical protein kinase C	0.0031	0.0069	0.0071
Schistosoma mansoni	protein kinase	0.0052	0.0315	0.0531
Schistosoma mansoni	rap gtpase-activating protein	0.0106	0.0955	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0555	0.1008
Entamoeba histolytica	hypothetical protein	0.0106	0.0955	0.4883
Echinococcus granulosus	casein kinase I delta	0.0052	0.0315	0.0739
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0126	0.1195	0.3035
Giardia lamblia	Kinase, CK1 Casein kinase	0.0052	0.0315	0.1001
Loa Loa (eye worm)	hypothetical protein	0.0064	0.046	0.0837
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0568	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.0841	0.1515
Brugia malayi	RNA binding protein	0.0076	0.0606	0.11
Trypanosoma cruzi	cdc2-related kinase 1	0.0102	0.0913	0.9456
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0029	0.0039	0.0019
Trypanosoma cruzi	cdc2-related kinase 3	0.0102	0.0913	0.9456
Echinococcus granulosus	casein kinase i	0.0052	0.0315	0.0739
Schistosoma mansoni	protein kinase	0.0138	0.134	0.245
Trichomonas vaginalis	STE family protein kinase	0.0029	0.0039	0.0138
Entamoeba histolytica	cell division protein kinase 2, putative	0.0102	0.0913	0.4664
Plasmodium falciparum	casein kinase 1	0.0052	0.0315	0.3217
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0106	0.0955	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0031	0.0069	0.0098
Brugia malayi	C1-like domain containing protein	0.0084	0.07	0.1273
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0029	0.0039	0.0007
Schistosoma mansoni	tyrosine kinase	0.0235	0.2482	0.4587
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0136	0.1313	0.1286
Schistosoma mansoni	protein kinase	0.0029	0.0039	0.0014
Echinococcus granulosus	rho-associated protein kinase 1	0.0166	0.1663	0.4255
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0076	0.0595	0.1081
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0117	0.1081	0.1964
Trypanosoma cruzi	cdc2-related kinase 3	0.0102	0.0913	0.9456
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0098	0.0866	0.4428
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0118	0.1101	0.1073
Schistosoma mansoni	protein kinase	0.0029	0.0039	0.0014
Schistosoma mansoni	hypothetical protein	0.0106	0.0955	0.1729
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0075	0.0592	0.1076
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0028	0.0031	0.0057
Onchocerca volvulus		0.0166	0.1663	0.5684
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0096	0.0841	0.211
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0606	0.1498
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0076	0.0595	0.5414
Entamoeba histolytica	protein kinase, putative	0.0028	0.0031	0.016
Trichomonas vaginalis	CMGC family protein kinase	0.0076	0.0595	0.2127
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0351	0.3866	0.3847
Giardia lamblia	Kinase, CDC7	0.0261	0.2797	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0076	0.0595	0.5414
Entamoeba histolytica	casein kinase, putative	0.0052	0.0315	0.1609
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0568	0.1005
Echinococcus multilocularis	rho associated protein kinase	0.0166	0.1663	0.1637
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0145	0.1414	0.1387
Brugia malayi	Protein kinase domain containing protein	0.0102	0.0913	0.1658
Echinococcus multilocularis	protein kinase shaggy	0.0062	0.0439	0.0409
Echinococcus granulosus	dual specificity	0.0106	0.0955	0.241
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0568	0.5
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.0205	0.2128	0.3867
Brugia malayi	cyclin-dependent kinase 9	0.006	0.0405	0.0736
Echinococcus granulosus	protein kinase c epsilon type	0.0031	0.0069	0.0098
Schistosoma mansoni	serine/threonine protein kinase	0.019	0.1957	0.3604
Loa Loa (eye worm)	hypothetical protein	0.0063	0.045	0.0817
Schistosoma mansoni	vam6/vps39 related	0.0106	0.0955	0.1729
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0069	0.0071
Plasmodium falciparum	protein kinase 5	0.0102	0.0913	1
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0106	0.0955	0.1729
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.1195	0.2179
Echinococcus multilocularis	casein kinase I alpha	0.0052	0.0315	0.0284
Brugia malayi	Cam kinase protein 1	0.0028	0.0031	0.0057
Entamoeba histolytica	protein kinase domain containing protein	0.019	0.1957	1
Entamoeba histolytica	protein kinase, putative	0.0031	0.0064	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0955	0.1735
Loa Loa (eye worm)	hypothetical protein	0.0094	0.081	0.1472
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0102	0.0913	0.9537
Brugia malayi	Protein kinase domain	0.0029	0.0039	0.007
Entamoeba histolytica	serine/threonine-protein kinase 3, putative	0.0067	0.0487	0.249
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0102	0.0913	0.2298
Schistosoma mansoni	protein kinase	0.0145	0.1414	0.2588
Trypanosoma cruzi	casein kinase, putative	0.0052	0.0315	0.185
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0102	0.0913	1
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.0084	0.0695	0.0666
Entamoeba histolytica	protein kinase, putative	0.0029	0.0039	0.0198
Entamoeba histolytica	protein kinase, putative	0.0029	0.0039	0.0198
Trichomonas vaginalis	CMGC family protein kinase	0.0102	0.0913	0.3263
Trichomonas vaginalis	CMGC family protein kinase	0.0261	0.2797	1
Trypanosoma brucei	protein kinase, putative	0.0062	0.0439	0.4599

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1602095

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1439209