TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 638.63 | Formula: C34H33F3N2O7
H donors: 2 H acceptors: 3 LogP: 3.69 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.COCCNCc1cccc(c1)c1ccccc1CN(C(=O)c1ccc2c(c1)OCO2)c1ccc(cc1)OC
InChi: 1S/C32H32N2O5.C2HF3O2/c1-36-17-16-33-20-23-6-5-8-24(18-23)29-9-4-3-7-26(29)21-34(27-11-13-28(37-2)14-12-27)32(35)25-10-15-30-31(19-25)39-22-38-30;3-2(4,5)1(6)7/h3-15,18-19,33H,16-17,20-22H2,1-2H3;(H,6,7)
InChiKey: UNUVTTNVOBXVEY-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
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0238	0.3491	0.3452
Toxoplasma gondii	exonuclease III APE	0.004	0.0087	0.0266
Mycobacterium ulcerans	lipase LipD	0.007	0.0609	0.1097
Loa Loa (eye worm)	6-phosphofructokinase	0.0238	0.3491	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.004	0.0087	0.005
Onchocerca volvulus		0.007	0.0609	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.004	0.0087	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1151	0.3182
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0072	0.0641	0.1695
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1729	0.4849
Toxoplasma gondii	hypothetical protein	0.01	0.1111	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.1729	0.4866
Mycobacterium leprae	conserved hypothetical protein	0.007	0.0609	0.1746
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.007	0.0609	0.1603
Mycobacterium leprae	Probable lipase LipE	0.007	0.0609	0.1746
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.004	0.0087	0.0122
Loa Loa (eye worm)	beta-lactamase	0.007	0.0609	0.1603
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0064	0.0506	0.5
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0059	0.0083
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0238	0.3491	0.3452
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.007	0.0004
Entamoeba histolytica	phosphofructokinase, putative	0.0238	0.3491	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0064	0.0506	0.8129
Trypanosoma brucei	hypothetical protein, conserved	0.007	0.0609	0.0553
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.004	0.0087	0.0039
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.2882	0.8222
Mycobacterium ulcerans	hypothetical protein	0.007	0.0609	0.1097
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Loa Loa (eye worm)	fli-1 protein	0.0219	0.3164	0.9047
Trichomonas vaginalis	phosphofructokinase, putative	0.0238	0.3491	1
Schistosoma mansoni	hypothetical protein	0.007	0.0598	0.1542
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0618	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.007	0.0609	0.1094
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Mycobacterium tuberculosis	Conserved protein	0.007	0.0609	0.0856
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Brugia malayi	beta-lactamase	0.007	0.0609	0.1603
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Loa Loa (eye worm)	TAR-binding protein	0.0203	0.2882	0.8228
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0087	0.0509
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.2882	0.8222
Echinococcus granulosus	muscleblind protein	0.0158	0.2105	0.4116
Echinococcus granulosus	tumor protein p63	0.0327	0.5016	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0087	0.0901	0.1267
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.1069	0.1502
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.007	0.0011
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.007	0.0609	0.0856
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.007	0.0103
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Brugia malayi	phosphofructokinase	0.0238	0.3491	1
Schistosoma mansoni	6-phosphofructokinase	0.0238	0.3491	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0292	0.4418	0.4384
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Loa Loa (eye worm)	hypothetical protein	0.007	0.0598	0.1569
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.007	0.0011
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0097	0.1069	0.1502
Loa Loa (eye worm)	phosphofructokinase	0.0238	0.3491	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0238	0.3491	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0064	0.0506	0.1232
Leishmania major	ATP-dependent phosphofructokinase	0.0238	0.3491	0.3452
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.007	0.0011
Plasmodium vivax	6-phosphofructokinase, putative	0.0064	0.0506	0.8129
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0064	0.0506	1
Brugia malayi	Inositol-1	0.0039	0.007	0.0032
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.004	0.0087	0.0039
Loa Loa (eye worm)	hypothetical protein	0.007	0.0609	0.1603
Mycobacterium ulcerans	esterase/lipase LipP	0.007	0.0609	0.1097
Echinococcus multilocularis	GA binding protein alpha chain	0.0072	0.0641	0.1158
Brugia malayi	beta-lactamase family protein	0.007	0.0609	0.1603
Mycobacterium tuberculosis	Conserved protein	0.007	0.0609	0.0856
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0609	0.0553
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0238	0.3491	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1729	0.4849
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0087	0.0892	0.0838
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0087	0.0901	0.1267
Plasmodium vivax	hypothetical protein, conserved	0.007	0.0609	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1729	0.4849
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0087	0.0901	0.1267
Mycobacterium tuberculosis	Probable hydrolase	0.007	0.0609	0.0856
Brugia malayi	Fli-1 protein	0.0219	0.3164	0.9047
Echinococcus multilocularis	tumor protein p63	0.0327	0.5016	1
Entamoeba histolytica	phosphofructokinase, putative	0.0238	0.3491	1
Echinococcus multilocularis	tar DNA binding protein	0.0203	0.2882	0.5688
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0064	0.0506	0.4252
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0609	0.1577
Echinococcus multilocularis	6 phosphofructokinase	0.0238	0.3491	0.6917
Schistosoma mansoni	6-phosphofructokinase	0.0238	0.3491	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.1151	0.3182
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.004	0.0087	0.0028
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0618	1	1
Toxoplasma gondii	ABC1 family protein	0.007	0.0609	0.523
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0064	0.0506	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.1151	0.3182
Schistosoma mansoni	ap endonuclease	0.004	0.0087	0.005
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.004	0.0087	0.0626
Onchocerca volvulus		0.007	0.0609	1
Trichomonas vaginalis	esterase, putative	0.007	0.0609	0.1577
Echinococcus multilocularis	muscleblind protein	0.0158	0.2105	0.4116
Trichomonas vaginalis	phosphofructokinase, putative	0.0238	0.3491	1
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0087	0.005
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.004	0.0087	0.0028
Brugia malayi	exodeoxyribonuclease III family protein	0.004	0.0087	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0461	0.1171
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.2882	0.8222
Loa Loa (eye worm)	inositol-1	0.0039	0.007	0.0032
Brugia malayi	Ets-domain containing protein	0.0072	0.0641	0.1695
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0292	0.4418	0.4384
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.045	0.7117	1
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.2882	0.8222
Brugia malayi	RNA recognition motif domain containing protein	0.0203	0.2882	0.8228
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1729	0.3356
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0609	0.1577
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0106	0.1218	0.1166
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0203	0.2882	0.8228
Mycobacterium tuberculosis	Probable esterase LipL	0.007	0.0609	0.0856
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0087	0.0901	0.1267
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0097	0.1069	0.3062
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.007	0.0609	0.0856
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.007	0.0011
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.004	0.0087	1
Echinococcus granulosus	tar DNA binding protein	0.0203	0.2882	0.5688
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.007	0.0609	0.1577
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0064	0.0506	1
Toxoplasma gondii	6-phosphofructokinase	0.0064	0.0506	0.4252
Echinococcus granulosus	6 phosphofructokinase	0.0238	0.3491	0.6917
Brugia malayi	Ets-domain containing protein	0.0072	0.0641	0.1695
Mycobacterium ulcerans	hypothetical protein	0.0325	0.4984	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0087	0.0901	0.2582
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.004	0.0087	0.0028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1729	0.3356
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Mycobacterium ulcerans	beta-lactamase	0.007	0.0609	0.1097
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0087	0.0892	0.0838
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0609	0.1577
Echinococcus granulosus	beta LACTamase domain containing family member	0.007	0.0609	0.1094
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0609	0.0553
Trichomonas vaginalis	D-aminoacylase, putative	0.007	0.0609	0.1577
Schistosoma mansoni	ap endonuclease	0.004	0.0087	0.005
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0609	0.1577
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2105	0.5961
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.004	0.0087	0.0028
Echinococcus multilocularis	muscleblind protein 1	0.0158	0.2105	0.4116
Onchocerca volvulus		0.007	0.0609	1
Mycobacterium tuberculosis	Probable reductase	0.0087	0.0901	0.1267
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0064	0.0506	0.1276
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0238	0.3491	0.4905
Trichomonas vaginalis	penicillin-binding protein, putative	0.007	0.0609	0.1577
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0087	0.0901	0.1267
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.007	0.0609	0.0856
Leishmania major	hypothetical protein, conserved	0.007	0.0609	0.0553
Brugia malayi	RNA binding protein	0.0203	0.2882	0.8228
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Loa Loa (eye worm)	RNA binding protein	0.0203	0.2882	0.8228
Echinococcus granulosus	GA binding protein alpha chain	0.0072	0.0641	0.1158
Trichomonas vaginalis	phosphofructokinase, putative	0.0064	0.0506	0.1276
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.1729	0.4866
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0618	1	1
Brugia malayi	6-phosphofructokinase	0.0238	0.3491	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0325	0.4984	0.7003
Brugia malayi	Muscleblind-like protein	0.0158	0.2105	0.5961
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0087	0.0892	0.0838
Schistosoma mansoni	gabp alpha	0.0072	0.0641	0.1669
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0238	0.3491	1
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0224	0.0449
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0598	0.1569
Mycobacterium tuberculosis	Conserved protein	0.007	0.0609	0.0856
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.004	0.0087	0.0082
Mycobacterium ulcerans	6-phosphofructokinase	0.0238	0.3491	0.6961
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.007	0.0004
Mycobacterium tuberculosis	Probable lipase LipE	0.007	0.0609	0.0856
Brugia malayi	TAR-binding protein	0.0203	0.2882	0.8228
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0064	0.0506	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1729	0.3356
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.2882	0.8222
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.007	0.0609	0.1097
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0064	0.0506	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0158	0.2105	0.5961
Loa Loa (eye worm)	6-phosphofructokinase	0.0238	0.3491	1
Entamoeba histolytica	phosphofructokinase, putative	0.0238	0.3491	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0224	0.0479
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0097	0.1069	0.1502
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0292	0.4418	0.4384
Trichomonas vaginalis	ap endonuclease, putative	0.004	0.0087	0.005
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.1151	0.3182
Schistosoma mansoni	ets-related	0.0219	0.3164	0.9044
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1729	0.3356
Toxoplasma gondii	phosphofructokinase PFKII	0.0064	0.0506	0.4252
Brugia malayi	6-phosphofructokinase	0.0238	0.3491	1
Brugia malayi	beta-lactamase family protein	0.007	0.0609	0.1603
Mycobacterium tuberculosis	Probable lipase LipD	0.007	0.0609	0.0856
Trichomonas vaginalis	phosphofructokinase, putative	0.0238	0.3491	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0087	0.0892	0.0838
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.007	0.0609	0.1603

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)	= 3.25 %	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)	= 4.69 %	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)	= 4.93 %	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)	= 6 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 46 %	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)	= 90 %	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)	= 1.45	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)	= 6 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 46 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 90 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 5.96	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 1.10577 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: CHEMBL547793
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 596697