TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 529.526 | Formula: C28H27F4N3O3
H donors: 3 H acceptors: 4 LogP: 3.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.OCC1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)c1nc2c([nH]1)ccc(c2)F
InChi: 1S/C26H26FN3O.C2HF3O2/c27-23-9-10-24-25(15-23)29-26(28-24)22-7-5-21(6-8-22)20-3-1-18(2-4-20)16-30-13-11-19(17-31)12-14-30;3-2(4,5)1(6)7/h1-10,15,19,31H,11-14,16-17H2,(H,28,29);(H,6,7)
InChiKey: WLYWPNKXUQFMQP-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
Echinococcus multilocularis	Niemann Pick C1 protein	0.0167	0.5002	0.5002
Echinococcus granulosus	bloom syndrome protein	0.0027	0.0669	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trypanosoma brucei	ULK family serine/threonine-protein kinase, putative	0.0006	0.0011	0.0034
Mycobacterium leprae	Probable lipase LipE	0.0041	0.1093	0.5
Toxoplasma gondii	exonuclease III APE	0.0022	0.0499	0.4562
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0499	0.0499
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.062	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0273	0.0865
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0499	0.6449
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Brugia malayi	serine/threonine-protein kinase plk-2	0.0107	0.3161	0.3862
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1726	0.1726
Brugia malayi	Importin beta-1 subunit	0.0031	0.0773	0.0945
Loa Loa (eye worm)	patched family protein	0.0007	0.004	0.004
Trichomonas vaginalis	DNA helicase recq, putative	0.0015	0.0273	0.0865
Toxoplasma gondii	patched family protein	0.0007	0.004	0.0362
Schistosoma mansoni	hypothetical protein	0.0327	1	1
Brugia malayi	beta-lactamase	0.0041	0.1093	0.1336
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0011	0.017	0.017
Brugia malayi	hypothetical protein	0.0007	0.004	0.0048
Brugia malayi	protein C24B5.3	0.0007	0.004	0.0048
Leishmania major	T-complex protein 1, beta subunit, putative	0.0026	0.062	0.1962
Schistosoma mansoni	DNA helicase recq1	0.0011	0.017	0.017
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0521	0.165
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.1093	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4153	0.4153
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Trichomonas vaginalis	DNA helicase recq, putative	0.0027	0.0669	0.2116
Toxoplasma gondii	patched family protein	0.0007	0.004	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Onchocerca volvulus		0.0055	0.1526	0.3613
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0499	0.5
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Brugia malayi	Niemann-Pick C1 protein precursor	0.0117	0.3446	0.421
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0499	0.1578
Loa Loa (eye worm)	patched family protein	0.0007	0.004	0.004
Mycobacterium ulcerans	lipase LipD	0.0041	0.1093	1
Brugia malayi	T-complex protein 1, beta subunit	0.0026	0.062	0.0758
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.1175
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.1656	0.1656
Entamoeba histolytica	hypothetical protein	0.0025	0.0593	0.1721
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0401	0.0401
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0273	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Loa Loa (eye worm)	patched family protein	0.0007	0.004	0.004
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.1474	0.4662
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0107	0.3161	0.7588
Echinococcus multilocularis	expressed conserved protein	0.0109	0.3226	0.3226
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.1093	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.1376	0.1376
Schistosoma mansoni	hypothetical protein	0.0048	0.132	0.132
Schistosoma mansoni	hypothetical protein	0.0048	0.132	0.132
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Brugia malayi	hypothetical protein	0.0007	0.004	0.0048
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0499	0.0781
Echinococcus granulosus	Protein patched homolog 1	0.005	0.1376	0.1376
Leishmania major	GTP-binding protein, putative	0.0023	0.0521	0.165
Echinococcus granulosus	muscleblind protein	0.017	0.5103	0.5103
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0773	0.7074
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0011	0.017	0.017
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0521	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Echinococcus multilocularis	protein dispatched 1	0.0057	0.1596	0.1596
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0773	0.7074
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0593	0.1107
Schistosoma mansoni	hypothetical protein	0.0048	0.132	0.132
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0018	0.0394	0.3602
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.1093	0.3458
Toxoplasma gondii	ABC1 family protein	0.0041	0.1093	1
Echinococcus multilocularis	muscleblind protein 1	0.017	0.5103	0.5103
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0107	0.3161	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.017	0.22
Plasmodium vivax	patched family protein, putative	0.0007	0.004	0.0362
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0499	0.1578
Loa Loa (eye worm)	patched family protein	0.0007	0.004	0.004
Brugia malayi	beta-lactamase family protein	0.0041	0.1093	0.1336
Trypanosoma brucei	polo-like protein kinase	0.0107	0.3161	1
Mycobacterium ulcerans	beta-lactamase	0.0041	0.1093	1
Plasmodium falciparum	importin beta, putative	0.0031	0.0773	1
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0026	0.062	0.1962
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Brugia malayi	Myosin head containing protein	0.0007	0.004	0.0048
Loa Loa (eye worm)	patched family protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0019	0.0401	0.0401
Brugia malayi	Patched related family protein 4	0.0007	0.004	0.0048
Echinococcus multilocularis	survival motor neuron protein 1	0.0269	0.8184	0.8184
Schistosoma mansoni	survival motor neuron protein	0.0055	0.1526	0.1526
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.1093	0.3458
Loa Loa (eye worm)	hypothetical protein	0.0269	0.8184	0.8184
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.017	0.0208
Echinococcus multilocularis	Niemann Pick C1 protein	0.0117	0.3446	0.3446
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0401	0.0401
Echinococcus multilocularis	muscleblind protein	0.017	0.5103	0.5103
Echinococcus granulosus	expressed conserved protein	0.0109	0.3226	0.3226
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Loa Loa (eye worm)	beta-lactamase	0.0041	0.1093	0.1093
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0593	0.1876
Brugia malayi	RNA, U transporter 1	0.0087	0.2531	0.3093
Toxoplasma gondii	patched family protein	0.0007	0.004	0.0362
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.017	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trypanosoma cruzi	polo-like protein kinase, putative	0.0107	0.3161	1
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.017	0.1557
Entamoeba histolytica	recQ family helicase, putative	0.0015	0.0273	0.0793
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.1656	0.2023
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.1093	0.3458
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.062	0.062
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Schistosoma mansoni	patched 1	0.005	0.1376	0.1376
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0117	0.3446	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0024	0.0566	0.7315
Onchocerca volvulus	Huntingtin homolog	0.0139	0.4153	1
Brugia malayi	CHE-14 protein	0.005	0.1376	0.1681
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0521	0.477
Schistosoma mansoni	ran	0.0023	0.0521	0.0521
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0261	0.7956	1
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0026	0.062	0.1505
Echinococcus multilocularis	protein patched	0.005	0.1376	0.1376
Loa Loa (eye worm)	hypothetical protein	0.017	0.5103	0.5103
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0401	0.0401
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.1093	0.0797
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0107	0.3161	0.3161
Trichomonas vaginalis	DNA helicase recq1, putative	0.0027	0.0669	0.2116
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0521	0.086
Mycobacterium tuberculosis	Conserved protein	0.0041	0.1093	0.0797
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.1526	0.1864
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.1093	0.3458
Entamoeba histolytica	Ran family GTPase	0.0023	0.0521	0.1513
Brugia malayi	hypothetical protein	0.0007	0.004	0.0048
Onchocerca volvulus		0.0041	0.1093	0.2561
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0117	0.3446	0.3446
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.1093	0.3458
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.1474	0.4662
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.062	0.062
Schistosoma mansoni	hypothetical protein	0.0019	0.0401	0.0401
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0773	0.0773
Onchocerca volvulus		0.0041	0.1093	0.2561
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.1656	0.2023
Schistosoma mansoni	hypothetical protein	0.0055	0.1526	0.1526
Schistosoma mansoni	hypothetical protein	0.004	0.1075	0.1075
Schistosoma mansoni	hypothetical protein	0.0197	0.5938	0.5938
Brugia malayi	Muscleblind-like protein	0.017	0.5103	0.6236
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.1093	0.0797
Schistosoma mansoni	ap endonuclease	0.0022	0.0499	0.0499
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0327	1	1
Mycobacterium tuberculosis	Conserved protein	0.0041	0.1093	0.0797
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.1093	1
Trichomonas vaginalis	ran, putative	0.0023	0.0521	0.165
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.1093	0.3458
Mycobacterium ulcerans	hypothetical protein	0.0041	0.1093	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0401	0.0401
Echinococcus multilocularis	bloom syndrome protein	0.0027	0.0669	0.0669
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0018	0.0387	0.354
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0773	0.2446
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0401	0.0401
Brugia malayi	Patched related family protein 10	0.0007	0.004	0.0048
Onchocerca volvulus	Huntingtin homolog	0.0139	0.4153	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0521	0.086
Echinococcus multilocularis	snurportin 1	0.0327	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4153	0.4153
Echinococcus granulosus	geminin	0.0197	0.5938	0.5938
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0499	0.0609
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0499	0.1447
Schistosoma mansoni	hypothetical protein	0.0019	0.0401	0.0401
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0499	0.1578
Trichomonas vaginalis	chaperonin, putative	0.0026	0.062	0.1962
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0521	0.0521
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0499	0.1099
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.1376	0.4352
Loa Loa (eye worm)	hypothetical protein	0.017	0.5103	0.5103
Schistosoma mansoni	hypothetical protein	0.0197	0.5938	0.5938
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0401	0.0401
Schistosoma mansoni	hypothetical protein	0.0019	0.0401	0.0401
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.1093	0.5
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0499	0.1578
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0026	0.062	0.062
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.1093	0.1336
Brugia malayi	beta-lactamase family protein	0.0041	0.1093	0.1336
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.1093	0.1093
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0011	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1656	0.1656
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0026	0.062	0.1202
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0026	0.062	0.5674
Brugia malayi	Patched related family protein 12	0.0007	0.004	0.0048
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0499	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0026	0.062	0.062
Echinococcus granulosus	Niemann Pick C1 protein	0.0117	0.3446	0.3446
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1093	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0011	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0026	0.062	0.1962
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.0521
Schistosoma mansoni	serine/threonine protein kinase	0.0107	0.3161	0.3161
Toxoplasma gondii	patched family protein	0.0007	0.004	0.0362
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0011	0.017	0.017
Onchocerca volvulus		0.0041	0.1093	0.2561
Schistosoma mansoni	DNA helicase recq5	0.0011	0.017	0.017
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.1093	0.2839
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0593	0.1876
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0499	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0269	0.8184	0.8184
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0521	0.6744
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.1093	0.1093
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0401	0.0489
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0401	0.0489
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0521	0.477
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0593	0.1876
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0107	0.3161	0.9173
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0773	0.2446
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.1093	0.1093
Mycobacterium tuberculosis	Conserved protein	0.0041	0.1093	0.0797
Trichomonas vaginalis	esterase, putative	0.0041	0.1093	0.3458
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0401	0.0401
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0401	0.0401
Plasmodium falciparum	lipid/sterol:H+ symporter	0.0007	0.004	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0137	0.4094	0.4094
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0107	0.3161	0.3161
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.1075	0.1313
Loa Loa (eye worm)	hypothetical protein	0.005	0.1376	0.1376
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0593	0.1876
Leishmania major	hypothetical protein, conserved	0.0041	0.1093	0.3458
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0118	0.3502	0.3502
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.1093	0.0797
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0026	0.062	0.062
Brugia malayi	Bloom's syndrome protein homolog	0.0027	0.0669	0.0817
Brugia malayi	Patched protein homolog 1	0.0007	0.004	0.0048
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0499	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0773	0.0773
Schistosoma mansoni	hypothetical protein	0.0048	0.132	0.132
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.1093	0.0797
Echinococcus granulosus	Niemann Pick C1 protein	0.0167	0.5002	0.5002
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0499	0.4562
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0026	0.062	0.8021
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.1376	0.1376
Brugia malayi	Patched family protein	0.0007	0.004	0.0048
Trypanosoma cruzi	polo-like protein kinase, putative	0.0107	0.3161	1
Loa Loa (eye worm)	RecQ helicase	0.0027	0.0669	0.0669
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Schistosoma mansoni	kinase	0.0055	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.004	0.1075	0.1075
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Echinococcus multilocularis	geminin	0.0197	0.5938	0.5938
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0026	0.062	0.18
Schistosoma mansoni	ap endonuclease	0.0022	0.0499	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.1093	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Schistosoma mansoni	ran	0.0023	0.0521	0.0521
Loa Loa (eye worm)	T-complex protein 1	0.0026	0.062	0.062
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.017	0.1557
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0499	0.0499
Brugia malayi	hypothetical protein	0.0269	0.8184	1
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.1376	0.1376
Toxoplasma gondii	t-complex protein beta subunit	0.0026	0.062	0.5674
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Toxoplasma gondii	hypothetical protein	0.0007	0.004	0.0362
Brugia malayi	protein C24B5.3	0.0007	0.004	0.0048
Brugia malayi	hypothetical protein	0.0007	0.004	0.0048
Schistosoma mansoni	importin beta-1	0.0031	0.0773	0.0773
Schistosoma mansoni	blooms syndrome DNA helicase	0.0022	0.049	0.049
Loa Loa (eye worm)	hypothetical protein	0.0007	0.004	0.004
Trichomonas vaginalis	CAMK family protein kinase	0.0107	0.3161	1
Brugia malayi	hypothetical protein	0.0139	0.4153	0.5075
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.1093	0.2839
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.1093	0.1093
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.1093	0.0797
Giardia lamblia	Kinase, PLK	0.0107	0.3161	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0107	0.3161	0.3161
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.1093	0.0797

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)	= 4.55 %	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)	= 4.78 %	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)	= 6.63 %	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)	= 17 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 95 %	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)	= 100 %	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)	= 2.94	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)	= 17 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 95 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.07	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.84471 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: CHEMBL548108
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 592924