TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 601.592 | Formula: C30H31F4N5O4
H donors: 2 H acceptors: 4 LogP: 1.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.COc1ccc(cc1CNC1CCN(CC1)CC1Cn2c3c1c(F)ccc3ccc2=O)n1ccnc1
InChi: 1S/C28H30FN5O2.C2HF3O2/c1-36-25-6-4-23(33-13-10-30-18-33)14-20(25)15-31-22-8-11-32(12-9-22)16-21-17-34-26(35)7-3-19-2-5-24(29)27(21)28(19)34;3-2(4,5)1(6)7/h2-7,10,13-14,18,21-22,31H,8-9,11-12,15-17H2,1H3;(H,6,7)
InChiKey: QBHYCPRFKANIHZ-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 tuberculosis	Probable lipase LipE	0.0038	0.0111	0.0799
Onchocerca volvulus		0.0038	0.0111	0.0439
Brugia malayi	K+-dependent Na+/Ca+ exchanger related-protein	0.0048	0.0153	0.0443
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Toxoplasma gondii	ABC1 family protein	0.0038	0.0111	0.3338
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0233	0.74
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0111	0.0799
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0026	0.0544
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0153	0.0624
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Leishmania major	hypothetical protein, conserved	0.0081	0.0312	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0026	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0064	0.023	0.022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0393	0.0438
Onchocerca volvulus		0.0315	0.1404	0.6078
Brugia malayi	beta-lactamase family protein	0.0038	0.0111	0.032
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.023	0.0251
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.001	0.0011
Loa Loa (eye worm)	RNA binding protein	0.007	0.0259	0.0296
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.023	0.0251
Plasmodium falciparum	cation/H+ antiporter	0.0048	0.0153	0.4745
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0393	0.0438
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0393	0.0383
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0259	0.0296
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0111	0.0799
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0048	0.0153	0.0164
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0111	0.0439
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0026	0.003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0393	0.0383
Leishmania major	cathepsin L-like protease	0.0065	0.0233	0.74
Echinococcus multilocularis	tumor protein p63	0.2149	1	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0111	0.3338
Brugia malayi	intermediate filament protein	0.0028	0.006	0.0174
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0259	0.0748
Echinococcus multilocularis	sodium calcium exchanger	0.1883	0.8754	0.8753
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0153	0.0175
Loa Loa (eye worm)	fibroinase	0.0017	0.001	0.0011
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0259	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Brugia malayi	Sodium/calcium exchanger protein	0.0753	0.346	1
Brugia malayi	hypothetical protein	0.0053	0.0177	0.0511
Schistosoma mansoni	ap endonuclease	0.002	0.0026	0.0019
Plasmodium vivax	cation/H+ antiporter, putative	0.0048	0.0153	0.4745
Echinococcus granulosus	sodium:potassium:calcium exchanger 6	0.0048	0.0153	0.0143
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0111	0.0799
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0111	0.0799
Brugia malayi	beta-lactamase family protein	0.0038	0.0111	0.032
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0111	0.0127
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0111	0.0799
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0233	0.74
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0111	0.0799
Schistosoma mansoni	hypothetical protein	0.0037	0.0102	0.0105
Onchocerca volvulus		0.0038	0.0111	0.0439
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0111	0.2955
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.006	0.0069
Schistosoma mansoni	lamin	0.0028	0.006	0.0057
Leishmania major	cathepsin L-like protease	0.0065	0.0233	0.74
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0393	0.1135
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.1082	1
Mycobacterium ulcerans	lipase LipD	0.0038	0.0111	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0259	0.0285
Onchocerca volvulus		0.0507	0.2304	1
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0111	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0111	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0026	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0153	0.0175
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0037	0.0102	0.0092
Echinococcus multilocularis	lamin dm0	0.0028	0.006	0.005
Echinococcus granulosus	sodium:potassium:calcium exchanger	0.0048	0.0153	0.0143
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0111	1
Echinococcus multilocularis	sodium:potassium:calcium exchanger	0.0048	0.0153	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0064	0.023	0.0262
Toxoplasma gondii	manganese resistance 1 protein, putative	0.0048	0.0153	0.4745
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Echinococcus granulosus	lamin	0.0028	0.006	0.005
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0111	0.0439
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Leishmania major	cathepsin L-like protease	0.0065	0.0233	0.74
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0259	0.0285
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0111	0.0799
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0026	0.1145
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0026	0.0544
Loa Loa (eye worm)	cysteine protease	0.0017	0.001	0.0011
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0445	0.2016	0.2303
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0037	0.0102	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Trichomonas vaginalis	set domain proteins, putative	0.0507	0.2304	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0393	0.0438
Treponema pallidum	hypothetical protein	0.0048	0.0153	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.006	0.005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.001	0.0029
Trypanosoma cruzi	PAB1-binding protein , putative	0.0081	0.0312	1
Brugia malayi	Na/Ca eXchangers family member (ncx-4)	0.0048	0.0153	0.0443
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0026	0.0016
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0332	0.1487	0.6438
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0026	0.0076
Plasmodium vivax	SET domain protein, putative	0.0064	0.023	0.7276
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0064	0.023	0.0251
Loa Loa (eye worm)	Na/Ca eXchangers family member	0.0048	0.0153	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0315	0.1404	0.1604
Schistosoma mansoni	hypothetical protein	0.0048	0.0153	0.0164
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0393	0.0383
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0064	0.023	0.0251
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0111	0.0101
Onchocerca volvulus	Sodium\/potassium\/calcium exchanger	0.0048	0.0153	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0153	0.0175
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0259	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0017	0.001	0.0011
Trypanosoma cruzi	PAB1-binding protein , putative	0.0081	0.0312	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0081	0.0312	1
Onchocerca volvulus		0.0064	0.023	0.0957
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0259	0.0285
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0026	0.0544
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0111	0.0439
Onchocerca volvulus		0.0028	0.006	0.0219
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0332	0.1487	0.6438
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0111	0.0101
Schistosoma mansoni	sodium/calcium exchanger	0.1883	0.8754	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.0233	0.74
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0111	0.3338
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0111	0.0127
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0026	0.0072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.006	0.0069
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Loa Loa (eye worm)	hypothetical protein	0.0753	0.346	0.3953
Loa Loa (eye worm)	hypothetical protein	0.0028	0.006	0.0069
Schistosoma mansoni	lamin	0.0028	0.006	0.0057
Plasmodium vivax	ataxin-2 like protein, putative	0.0081	0.0312	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Echinococcus multilocularis	musashi	0.0028	0.006	0.005
Echinococcus granulosus	histone lysine methyltransferase setb	0.0064	0.023	0.022
Schistosoma mansoni	na/ca exchanger	0.0048	0.0153	0.0164
Entamoeba histolytica	sodium/calcium exchanger protein, putative	0.0048	0.0153	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0111	0.0115
Echinococcus multilocularis	sodium:potassium:calcium exchanger 6	0.0048	0.0153	0.0143
Echinococcus multilocularis	lamin	0.0028	0.006	0.005
Toxoplasma gondii	LsmAD domain-containing protein	0.0081	0.0312	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0064	0.023	0.022
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.05	0.0571
Onchocerca volvulus		0.0028	0.006	0.0219
Brugia malayi	Pre-SET motif family protein	0.0064	0.023	0.0664
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0153	0.0624
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0026	0.0544
Loa Loa (eye worm)	ctsf protein	0.0017	0.001	0.0011
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0111	0.0799
Echinococcus granulosus	tar DNA binding protein	0.007	0.0259	0.0249
Brugia malayi	TAR-binding protein	0.007	0.0259	0.0748
Schistosoma mansoni	cellular tumor antigen P53	0.0315	0.1404	0.1595
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Schistosoma mansoni	ap endonuclease	0.002	0.0026	0.0019
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0393	0.0383
Brugia malayi	MH2 domain containing protein	0.0122	0.05	0.1445
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0026	0.0072
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0233	0.725
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0064	0.023	0.7276
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0233	0.74
Toxoplasma gondii	exonuclease III APE	0.002	0.0026	0.0544
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.0207	0.6529
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.0169	0.5252
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0111	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0111	0.0439
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0111	0.0799
Brugia malayi	hypothetical protein	0.0081	0.0312	0.0901
Brugia malayi	beta-lactamase	0.0038	0.0111	0.032
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0111	0.032
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0026	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.05	0.0571
Brugia malayi	Pre-SET motif family protein	0.0445	0.2016	0.5826
Echinococcus granulosus	sodium calcium exchanger	0.1883	0.8754	0.8753
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.006	0.0174
Brugia malayi	RNA binding protein	0.007	0.0259	0.0748
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0111	0.0115
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0111	0.3338
Onchocerca volvulus		0.0038	0.0111	0.0439
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0259	0.0249
Mycobacterium tuberculosis	Probable ionic transporter integral membrane protein ChaA	0.0048	0.0153	0.1201
Echinococcus granulosus	lamin dm0	0.0028	0.006	0.005
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0259	0.0285
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0048	0.0153	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.006	0.0057
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0026	0.0016
Plasmodium falciparum	ataxin-2 like protein, putative	0.0081	0.0312	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0111	0.3338
Loa Loa (eye worm)	solute carrier family 8	0.1883	0.8754	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0058	0.0066
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0393	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0312	0.0356
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0153	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0111	0.0127
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0061	0.0219	0.0209
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.001	0.0011
Trichomonas vaginalis	esterase, putative	0.0038	0.0111	0.0439
Plasmodium falciparum	ataxin-2 like protein, putative	0.0081	0.0312	1
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0048	0.0153	0.0164
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0111	0.0439

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 4.54 %	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)	= 4.7 %	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)	= 5.24 %	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)	= 18 %	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)	= 25 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	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)	= 1.85	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 18 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 25 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.03	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.92703 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: CHEMBL531988
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Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 603713