TDR Targets

Basic information

Technical information

TDR Targets ID: 1012087
Name: (3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2 R,5R)-5-(hydroxymethyl)-6-methylhept-3-en-2-y l]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenant hrene-3,6,15-triol
MW: 448.678 | Formula: C28H48O4
H donors: 4 H acceptors: 4 LogP: 4.93 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H](C(C)C)/C=C/[C@H]([C@H]1C[C@H]([C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2)O)O)O)C
InChi: 1S/C28H48O4/c1-16(2)18(15-29)7-6-17(3)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h6-7,16-26,29-32H,8-15H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-/m1/s1
InChiKey: OPELMUKUWKWTPN-QQGCWHOWSA-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

(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,1R,4R)-4-(hydroxymethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,1R,4R)-4-(hydroxymethyl)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,1R,4R)-1,5-dimethyl-4-methylol-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
(3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2R,5R)-5-(hydroxymethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cam kinase protein 1	0.0033	0.0484	0.0826
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.0484	0.0905
Brugia malayi	hypothetical protein	0.0073	0.1388	0.2692
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0469	0.1106
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0469	0.1211
Brugia malayi	hypothetical protein	0.0231	0.4928	1
Toxoplasma gondii	protein kinase, putative	0.0305	0.6571	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0174	0.3649	0.3595
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0202	0.0236
Schistosoma mansoni	glucose transport protein	0.0108	0.216	0.5965
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0108	0.216	0.2836
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0865	0.2245
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0484	0.0905
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.0484	0.0404
Schistosoma mansoni	glucose transport protein	0.0108	0.216	0.5965
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Loa Loa (eye worm)	hypothetical protein	0.0231	0.4928	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0589	1
Leishmania major	glucose transporter, lmgt3	0.0033	0.0493	0.8107
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0084	0.0291
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0469	0.0526
Schistosoma mansoni	ferritin	0.0018	0.0138	0.0155
Entamoeba histolytica	hypothetical protein	0.0073	0.1388	0.1882
Entamoeba histolytica	hypothetical protein	0.0073	0.1388	0.1882
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0589	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0493	0.0675
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.2874	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.0484	0.0617
Brugia malayi	Probable ClpP-like protease	0.0083	0.1603	0.3136
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	0.1532
Plasmodium falciparum	proline--tRNA ligase	0.0038	0.0589	0.051
Plasmodium vivax	hexose transporter	0.0108	0.216	0.2094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0775	0.1987
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0775	0.1987
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0493	0.8107
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0174	0.3649	0.3595
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.1603	0.2342
Echinococcus granulosus	ferritin	0.0018	0.0138	0.0074
Onchocerca volvulus		0.005	0.0865	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0801	0.2061
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0493	0.8107
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0775	0.0945
Brugia malayi	MH2 domain containing protein	0.0121	0.2451	0.4886
Schistosoma mansoni	ferritin	0.0018	0.0138	0.0155
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.0484	0.0404
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0469	0.0635
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.2451	0.493
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0084	0.0291
Trypanosoma cruzi	hexose transporter	0.0033	0.0493	0.8107
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.0484	0.7919
Echinococcus multilocularis	calcium dependent protein kinase	0.0031	0.0438	0.0484
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.2451	0.493
Schistosoma mansoni	protein kinase	0.0033	0.0484	0.1149
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0283	0.0329
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0493	0.0675
Schistosoma mansoni	apoferritin-2	0.0018	0.0138	0.0155
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.0484	0.0404
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.4928	0.6617
Loa Loa (eye worm)	sugar transporter	0.0015	0.0084	0.0086
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0283	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1603	0.3195
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.0484	0.0547
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0286	0.6152	1
Schistosoma mansoni	ferritin	0.0018	0.0138	0.0155
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.1388	0.1781
Plasmodium falciparum	protein kinase 7	0.0305	0.6571	0.6542
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.2874	1
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0283	0.0201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0775	0.0945
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0283	0.0201
Plasmodium falciparum	hexose transporter	0.0108	0.216	0.2094
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Echinococcus granulosus	tumor protein p63	0.0342	0.7405	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0384	0.0303
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.1603	0.1532
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0493	0.8107
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0493	0.8107
Schistosoma mansoni	hypothetical protein	0.0171	0.3565	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.4928	0.6617
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.1603	0.5355
Echinococcus granulosus	calcium dependent protein kinase	0.0031	0.0438	0.0484
Toxoplasma gondii	facilitative glucose transporter GT1	0.0108	0.216	0.3201
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0283	0.0986
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Entamoeba histolytica	hypothetical protein	0.0073	0.1388	0.1882
Loa Loa (eye worm)	sugar transporter	0.0108	0.216	0.4336
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0018	0.0138	0.0193
Mycobacterium ulcerans	bacterioferritin BfrA	0.0018	0.0138	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.0484	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0493	0.8107
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0493	0.0675
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0283	0.0412
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	0.5577
Echinococcus multilocularis	tumor protein p63	0.0342	0.7405	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0286	0.6152	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.0962	0.3014
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.1388	0.1781
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0775	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0469	0.0875
Entamoeba histolytica	hypothetical protein	0.0073	0.1388	0.1882
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	0.5577
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0283	0.0573
Echinococcus multilocularis	ferritin	0.0018	0.0138	0.0074
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0469	0.0316
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0775	0.0945
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0589	1
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0018	0.0138	0.0193
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0775	0.1428
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0469	0.1106
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0493	0.0675
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.0484	0.0404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0801	0.1481
Onchocerca volvulus		0.0047	0.0801	0.9182
Leishmania major	glucose transporter, lmgt1	0.0033	0.0493	0.8107
Echinococcus multilocularis	geminin	0.0171	0.3565	0.4755
Treponema pallidum	bacterioferrin (TpF1)	0.0018	0.0138	0.0224
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0283	0.395
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0775	0.1987
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.0962	0.12
Toxoplasma gondii	hypothetical protein	0.0029	0.0384	0.0463
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Trichomonas vaginalis	ferritin, putative	0.0018	0.0138	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0589	1
Schistosoma mansoni	hypothetical protein	0.0171	0.3565	1
Schistosoma mansoni	protein kinase	0.0033	0.0484	0.1149
Schistosoma mansoni	protein kinase	0.0033	0.0484	0.1149
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0493	0.0675
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.0484	0.0617
Echinococcus granulosus	expressed protein	0.0018	0.0138	0.0074
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0029	0.0384	0.0902
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.1603	0.2075
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0283	0.0495
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0283	0.395
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0589	1
Schistosoma mansoni	hypothetical protein	0.0108	0.216	0.5965
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Schistosoma mansoni	glucose transport protein	0.0108	0.216	0.5965
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.0484	0.0826
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0283	0.0329
Leishmania major	protein kinase, putative	0.0033	0.0484	0.7919
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0493	0.0675
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0086
Giardia lamblia	Fructose-bisphosphate aldolase	0.0286	0.6152	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0865	0.1686
Entamoeba histolytica	protein kinase, putative	0.0033	0.0484	0.0342
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.0962	0.12
Schistosoma mansoni	hypothetical protein	0.0047	0.0801	0.2061
Plasmodium vivax	proline--tRNA ligase, putative	0.0038	0.0589	0.051
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0469	0.0795
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0283	0.0573
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0154	0.1383
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.0484	0.0404
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0384	0.0625
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0283	0.0986
Leishmania major	glucose transporter, lmgt2	0.0033	0.0493	0.8107
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.1603	0.2075
Schistosoma mansoni	ferritin light chain	0.0018	0.0138	0.0155
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0484	0.1149
Echinococcus multilocularis	expressed protein	0.0018	0.0138	0.0074
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0283	0.395
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.2874	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.0484	0.0905
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0469	0.0875
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	0.2606
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0084	0.0086
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.1388	0.3746
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0283	0.0273
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Echinococcus granulosus	geminin	0.0171	0.3565	0.4755
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.1603	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0283	0.1768
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0333	0.0596
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0493	0.0675
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0283	0.0308
Trichomonas vaginalis	conserved hypothetical protein	0.0108	0.216	0.3422
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Mycobacterium ulcerans	sugar transporter	0.0015	0.0084	0.0291
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0217	0.0219
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0084	0.0291
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0018	0.0138	0.0354
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0038	0.0589	0.0779
Entamoeba histolytica	protein kinase, putative	0.0033	0.0484	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0484	0.0659
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0493	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.0484	0.0404
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0469	0.0526
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0283	0.0533
Mycobacterium ulcerans	bacterioferritin BfrB	0.0018	0.0138	0.0479
Echinococcus multilocularis	General substrate transporter	0.0093	0.1821	0.2372
Schistosoma mansoni	ferritin light chain	0.0018	0.0138	0.0155
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0469	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.1603	0.2342
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.0484	0.0404
Schistosoma mansoni	apoferritin-2	0.0018	0.0138	0.0155
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	0.6152	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0202	0.0424
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.0962	0.3149
Brugia malayi	Sugar transporter family protein	0.0108	0.216	0.4287
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0775	0.0945
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.1603	0.4363
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0174	0.3649	0.5495
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0108	0.216	0.2836
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0493	0.8107
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0384	0.0303
Echinococcus granulosus	General substrate transporter	0.0093	0.1821	0.2372
Schistosoma mansoni	hypothetical protein	0.0073	0.1388	0.3746
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0484	0.0547
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0202	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0084	0.0086
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0469	0.0635
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0493	0.8107
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.0962	0.3149
Schistosoma mansoni	ferritin	0.0018	0.0138	0.0155
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0493	0.8107
Treponema pallidum	fructose-bisphosphate aldolase	0.0286	0.6152	1
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0493	0.8107

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.01 ug ml-1	Cytotoxicity against human HCT15 cells	ChEMBL.	15104487
ED50 (functional)	= 0.07 ug ml-1	Cytotoxicity against human XF498 cells	ChEMBL.	15104487
ED50 (functional)	= 0.08 ug ml-1	Cytotoxicity against human SKOV3 cells	ChEMBL.	15104487
ED50 (functional)	= 0.09 ug ml-1	Cytotoxicity against human SK-MEL-2 cells	ChEMBL.	15104487
ED50 (functional)	= 0.15 ug ml-1	Cytotoxicity against human A549 cells	ChEMBL.	15104487

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.

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External resources for this compound

ChEMBL: CHEMBL518378

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1012087