TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 890.981 | Formula: C47H50F4N4O7S
H donors: 2 H acceptors: 7 LogP: 4.4 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.COc1ccc(cc1F)C(=O)CCC(=O)N(C1CCN(CC1)Cc1ccccc1)Cc1ccc(cc1)c1ccc(cn1)CNCCc1ccc(cc1)S(=O)(=O)C
InChi: 1S/C45H49FN4O5S.C2HF3O2/c1-55-44-20-15-38(28-41(44)46)43(51)19-21-45(52)50(39-23-26-49(27-24-39)31-34-6-4-3-5-7-34)32-35-8-13-37(14-9-35)42-18-12-36(30-48-42)29-47-25-22-33-10-16-40(17-11-33)56(2,53)54;3-2(4,5)1(6)7/h3-18,20,28,30,39,47H,19,21-27,29,31-32H2,1-2H3;(H,6,7)
InChiKey: JGCKXDZYLIKMDO-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

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
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0069	0.1076
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0062	0.023	0.6131
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0365	1
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0097	0.0443	1
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0059	0.0044
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0015	0.0033
Schistosoma mansoni	hypothetical protein	0.0295	0.1635	0.5238
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0059	0.0181
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0191	0.0566
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0015	0.1455
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0097	0.0443	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0088	0.1867
Echinococcus granulosus	importin subunit beta 1	0.003	0.004	0.0082
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0069	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	1
Brugia malayi	RNA binding protein	0.0066	0.0259	0.1001
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0059	0.0044
Brugia malayi	Importin beta-1 subunit	0.003	0.004	0.0104
Onchocerca volvulus		0.0048	0.015	0.0298
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0069	0.0172
Schistosoma mansoni	hypothetical protein	0.0033	0.0059	0.019
Echinococcus granulosus	geminin	0.0541	0.3121	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0059	0.0216	0.0647
Onchocerca volvulus		0.0489	0.2808	1
Brugia malayi	RNA, U transporter 1	0.0086	0.0377	0.1486
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0069	0.022
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0494	0.1966
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0069	0.0223
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0069	0.022
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.043	0.245	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0293	0.114
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0069	0.0223
Loa Loa (eye worm)	MH2 domain-containing protein	0.0275	0.1514	0.6155
Brugia malayi	beta-lactamase family protein	0.0035	0.0069	0.022
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0258	0.1416	0.5752
Plasmodium vivax	SET domain protein, putative	0.0062	0.023	0.6131
Brugia malayi	beta-lactamase family protein	0.0035	0.0069	0.022
Entamoeba histolytica	hypothetical protein	0.0038	0.0088	0.1867
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Brugia malayi	TAR-binding protein	0.0066	0.0259	0.1001
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0015	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0259	0.1001
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0191	0.0611
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0259	0.0829
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0463	0.1483
Brugia malayi	MH2 domain containing protein	0.0275	0.1514	0.6155
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.0463	0.1839
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0062	0.023	0.0215
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.0494	0.1966
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0191	0.0721
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.015	0.0482
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.015	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0059	0.0181
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Schistosoma mansoni	hypothetical protein	0.0541	0.3121	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.1203	1
Echinococcus granulosus	snurportin 1	0.0323	0.1806	0.5766
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.015	0.0435
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0463	0.1442
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.0365	1
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0088	0.0281
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.015	0.0435
Toxoplasma gondii	ABC1 family protein	0.0035	0.0069	0.1528
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0069	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0365	0.1438
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0062	0.023	0.0736
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0463	0.0448
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.004	0.0104
Schistosoma mansoni	hypothetical protein	0.0033	0.0059	0.019
Echinococcus multilocularis	importin subunit beta 1	0.003	0.004	0.0025
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.004	0.4747
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0191	0.1075
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.0365	0.0351
Echinococcus multilocularis	snurportin 1	0.0323	0.1806	0.1793
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0059	0.0044
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0259	0.1001
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0191	0.4744
Onchocerca volvulus	Glucosylceramidase homolog	0.0169	0.088	0.2962
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0069	0.022
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.015	0.0555
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0059	0.0142
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0191	0.101	0.3202
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0059	0.0181
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Schistosoma mansoni	hypothetical protein	0.0541	0.3121	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.1416	0.503
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.0463	0.1839
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0443	0.1757
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0191	0.0176
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.004	0.0725
Schistosoma mansoni	hypothetical protein	0.0033	0.0059	0.019
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.023	0.0736
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.015	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0088	0.0073
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0463	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0069	0.022
Trichomonas vaginalis	set domain proteins, putative	0.0489	0.2808	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.0365	0.1171
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0069	0.0223
Entamoeba histolytica	hypothetical protein	0.0038	0.0088	0.1867
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0015	0.0208
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.015	0.0135
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0935	0.3315
Schistosoma mansoni	hypothetical protein	0.0033	0.0059	0.019
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0293	0.114
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0463	0.1483
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0088	0.0233
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0259	0.0829
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.0365	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0275	0.1514	0.6155
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0259	0.1001
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0191	0.1075
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0191	0.0721
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	1
Brugia malayi	mbt repeat family protein	0.0048	0.015	0.0555
Brugia malayi	Probable ClpP-like protease	0.0084	0.0365	0.1438
Schistosoma mansoni	hypothetical protein	0.0038	0.0088	0.0281
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.0365	0.1128
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0259	0.0829
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0259	0.1001
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.023	0.0736
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.0494	0.1966
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.023	0.0736
Echinococcus granulosus	histone lysine methyltransferase setb	0.0062	0.023	0.0691
Brugia malayi	mbt repeat family protein	0.0048	0.015	0.0555
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0365	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0069	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0365	1
Echinococcus granulosus	GPCR family 2	0.0033	0.0059	0.0142
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0069	0.0054
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0191	0.0176
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0258	0.1416	0.5752
Brugia malayi	beta-lactamase	0.0035	0.0069	0.022
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0191	0.0176
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0069	0.1528
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0323	0.1806	0.7354
Schistosoma mansoni	hypothetical protein	0.0072	0.0293	0.0937
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0069	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0463	0.1483
Plasmodium falciparum	importin beta, putative	0.003	0.004	0.0725
Leishmania major	hypothetical protein, conserved	0.0035	0.0069	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0033	0.0506
Brugia malayi	hypothetical protein	0.0038	0.0088	0.0298
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.004	0.4747
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0259	0.0785
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0015	0.1455
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0191	0.101	0.0996
Brugia malayi	Pre-SET motif family protein	0.043	0.245	1
Onchocerca volvulus		0.0062	0.023	0.0588
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0259	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0259	0.0829
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0069	0.022
Loa Loa (eye worm)	hypothetical protein	0.0048	0.015	0.0555
Toxoplasma gondii	hypothetical protein	0.0029	0.0033	0.0506
Schistosoma mansoni	importin beta-1	0.003	0.004	0.013
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0059	0.0142
Plasmodium vivax	importin-beta 2, putative	0.003	0.004	0.0725
Trichomonas vaginalis	esterase, putative	0.0035	0.0069	0.0223
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0059	0.0181
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0069	0.0223
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0191	0.0565
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.015	0.0482
Entamoeba histolytica	hypothetical protein	0.0038	0.0088	0.1867
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0463	0.1442
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0033	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0062	0.023	0.0882
Loa Loa (eye worm)	MBCTL1	0.0055	0.0191	0.0721
Brugia malayi	Pre-SET motif family protein	0.0062	0.023	0.0882
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0069	0.0223
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0191	0.0566
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.015	0.0482
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0062	0.023	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0069	0.022
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.088	0.3119
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0259	0.0829
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.0935	0.3315
Echinococcus multilocularis	geminin	0.0541	0.3121	0.311
Schistosoma mansoni	hypothetical protein	0.0323	0.1806	0.5786
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.0494	0.1966

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 2 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 2.72 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4.03 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 5.85 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 20 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 72 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 99 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 8.39	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 2 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 20 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 72 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.36	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.43669 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL532490
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 600258