TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 936.099 | Formula: C52H65N5O11
H donors: 5 H acceptors: 8 LogP: 7.35 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1ccc(cc1)CN1CC(C)N(C(C1)C)/N=C/c1cc2c3c(c1NC(=O)/C(=C\C=C\C(C)C(O)C(C)C(C(C(C(C(/C=C/OC1(C(=O)c2c(c(c3O)C)O1)C)OC)C)OC(=O)C)C)O)/C)O
InChi: 1S/C52H65N5O11/c1-27-13-12-14-28(2)51(64)55-43-38(23-54-57-29(3)24-56(25-30(57)4)26-37-17-15-36(22-53)16-18-37)21-39-41(47(43)62)46(61)34(8)49-42(39)50(63)52(10,68-49)66-20-19-40(65-11)31(5)48(67-35(9)58)33(7)45(60)32(6)44(27)59/h12-21,23,27,29-33,40,44-45,48,59-62H,24-26H2,1-11H3,(H,55,64)/b13-12+,20-19+,28-14-,54-23+
InChiKey: IVFTWHUFJWSIIB-UQEVDCTDSA-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

Species	Target name	Source	Bibliographic reference
Woolly monkey sarcoma virus	Simian sarcoma virus Pol protein	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	pol protein	Get druggable targets OG5_134588	All targets in OG5_134588
Trypanosoma congolense	Integrase core domain containing protein, putative	Get druggable targets OG5_134588	All targets in OG5_134588
Echinococcus multilocularis	pol protein	Get druggable targets OG5_134588	All targets in OG5_134588
Trypanosoma congolense	RNase H/Integrase core domain containing protein, putative	Get druggable targets OG5_134588	All targets in OG5_134588
Echinococcus multilocularis	pol protein	Get druggable targets OG5_134588	All targets in OG5_134588
Echinococcus multilocularis	pol protein	Get druggable targets OG5_134588	All targets in OG5_134588
Trypanosoma congolense	Integrase core domain containing protein, putative	Get druggable targets OG5_134588	All targets in OG5_134588

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Dictyostelium discoideum	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	247 aa	23.5 %
Dictyostelium discoideum	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	251 aa	25.1 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	268 aa	28.7 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	281 aa	27.0 %
Candida albicans	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	254 aa	26.8 %
Dictyostelium discoideum	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	251 aa	25.1 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	278 aa	27.7 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	277 aa	28.9 %
Dictyostelium discoideum	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	251 aa	25.1 %
Candida albicans	possible C-terminus	Simian sarcoma virus Pol protein	294 aa	254 aa	26.8 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	291 aa	26.1 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	269 aa	29.0 %
Schistosoma japonicum	similar to Uncharacterized protein F44E2.2, putative	Simian sarcoma virus Pol protein	294 aa	250 aa	27.2 %
Dictyostelium discoideum	hypothetical protein	Simian sarcoma virus Pol protein	294 aa	251 aa	25.1 %
Schistosoma japonicum	Retrovirus-related Pol polyprotein from transposon 17.6 [Includes: Protease, putative	Simian sarcoma virus Pol protein	294 aa	292 aa	27.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.035	0.1469
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0066	0.0625	0.3472
Plasmodium falciparum	polyprenol reductase, putative	0.0066	0.0625	0.3472
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0201	0.2383	1
Brugia malayi	PAS domain containing protein	0.0049	0.0398	0.1671
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0086	0.088	0.088
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.004	0.029	0.1215
Brugia malayi	Synaptic glycoprotein SC2	0.0066	0.0625	0.2621
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0233	0.0977
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0066	0.0625	0.2621
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0066	0.0625	0.2621
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0086	0.088	1
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.004	0.029	0.1215
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0086	0.088	0.3694
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.004	0.029	0.161
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0156	0.1799	0.7549
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Toxoplasma gondii	hypothetical protein	0.0116	0.1271	0.5332
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.004	0.029	0.161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0086	0.088	0.3694
Echinococcus granulosus	dna polymerase eta	0.0045	0.035	0.1946
Echinococcus multilocularis	pol protein	0.0259	0.3152	0.3152
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1077	0.4519
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0201	0.2383	1
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0031	0.0172	0.0722
Leishmania major	DNA polymerase eta, putative	0.0032	0.0175	0.0735
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.004	0.029	0.1215
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.004	0.029	0.1215
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1269	0.5323
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0015	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0625	0.2621
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.004	0.029	0.161
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0015	0.0063
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0086	0.088	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0625	0.2621
Leishmania major	DNA polymerase eta, putative	0.0045	0.035	0.1469
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0156	0.1799	0.7549
Trypanosoma brucei	phosphoglycerate kinase	0.0086	0.088	0.3694
Echinococcus granulosus	synaptic glycoprotein sc2	0.0066	0.0625	0.3472
Echinococcus granulosus	GPCR family 2	0.0032	0.0178	0.0987
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.029	0.1215
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0116	0.1271	0.5332
Schistosoma mansoni	hypothetical protein	0.0032	0.0178	0.0987
Trypanosoma brucei	phosphoglycerate kinase	0.0031	0.0172	0.0722
Mycobacterium ulcerans	phosphoglycerate kinase	0.0086	0.088	0.3694
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Onchocerca volvulus		0.0066	0.0625	1
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0066	0.0625	0.3472
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0066	0.0625	0.2621
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0015	0.0063
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.004	0.029	0.1215
Giardia lamblia	Rab geranylgeranyltransferase	0.004	0.029	0.161
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0178	0.0745
Treponema pallidum	phosphoglycerate kinase	0.0086	0.088	1
Chlamydia trachomatis	phosphoglycerate kinase	0.0086	0.088	0.5
Plasmodium falciparum	phosphoglycerate kinase	0.0086	0.088	0.4894
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.004	0.029	0.1215
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.1077	0.4519
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0031	0.0172	0.0722
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0044	0.0338	0.1417
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0086	0.088	0.3694
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0178	0.0987
Schistosoma mansoni	hypothetical protein	0.0032	0.0178	0.0987
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0066	0.0625	0.2621
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0156	0.1799	0.1799
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0151	0.1733	0.7272
Giardia lamblia	Rab geranylgeranyltransferase	0.0156	0.1799	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0066	0.0625	0.2621
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0178	0.0745
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0015	0.0171
Brugia malayi	hypoxia-induced factor 1	0.0151	0.1733	0.7272
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0156	0.1799	0.7549
Echinococcus multilocularis	pol protein	0.0259	0.3152	0.3152
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0178	0.0178
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0201	0.2383	1
Giardia lamblia	Synaptic glycoprotein SC2	0.0066	0.0625	0.3472
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0661	0.2772
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0044	0.0338	0.1417
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.035	0.1469
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.004	0.029	0.161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0156	0.1799	0.7549
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0661	0.2772
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0156	0.1799	1
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.004	0.029	0.1215
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0201	0.2383	1
Trypanosoma brucei	phosphoglycerate kinase	0.0086	0.088	0.3694
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0178	0.0178
Plasmodium vivax	polyprenol reductase, putative	0.0066	0.0625	0.3472
Schistosoma mansoni	phosphoglycerate kinase	0.0086	0.088	0.4894
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0156	0.1799	0.7549
Schistosoma mansoni	aryl hydrocarbon receptor	0.0049	0.0398	0.2214
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0201	0.2383	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0015	0.0063
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0031	0.0172	0.0722
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0201	0.2383	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1269	0.5323
Echinococcus granulosus	single minded 2	0.0036	0.0233	0.1294
Mycobacterium ulcerans	putative regulatory protein	0.0036	0.0233	0.0977
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0066	0.0625	0.3472
Echinococcus granulosus	phosphoglycerate kinase 1	0.0086	0.088	0.4894
Trypanosoma brucei	unspecified product	0.0019	0.0015	0.0063
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Schistosoma mansoni	phosphoglycerate kinase	0.0086	0.088	0.4894
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0066	0.0625	0.3472
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0086	0.088	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0015	0.0063
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0015	0.0015
Schistosoma mansoni	single-minded	0.0049	0.0398	0.2214
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0015	0.0084
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0066	0.0625	0.2621
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0015	0.0084
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0178	0.0987
Entamoeba histolytica	hypothetical protein	0.0066	0.0625	0.2621
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0156	0.1799	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0015	0.0063
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Brugia malayi	MH2 domain containing protein	0.0115	0.1269	0.5323
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0086	0.088	0.3694
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0015	0.0063
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0156	0.1799	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0015	0.0171
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0066	0.0625	0.2621
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.004	0.029	0.029
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0031	0.0172	0.0722
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.029	0.1215
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1799	0.7549
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0066	0.0625	0.2621
Echinococcus multilocularis	dna polymerase eta	0.0045	0.035	0.035
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0015	0.0063
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0201	0.2383	1
Brugia malayi	Phosphoglycerate kinase	0.0086	0.088	0.3694
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.1077	0.4519
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0066	0.0625	0.0625
Plasmodium vivax	phosphoglycerate kinase, putative	0.0086	0.088	0.4894
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0066	0.0625	0.2621
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0178	0.0745
Mycobacterium ulcerans	hypothetical protein	0.0201	0.2383	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0201	0.2383	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0015	0.0063
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0156	0.1799	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0015	0.0063
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0233	0.0233
Echinococcus multilocularis	pol protein	0.0259	0.3152	0.3152
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0015	0.0063
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.004	0.029	0.1215
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0201	0.2383	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0015	0.0063
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.004	0.029	0.1215
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.004	0.029	0.1215
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0066	0.0625	0.0625
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.004	0.029	0.1215
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.029	0.1215
Schistosoma mansoni	hypothetical protein	0.0032	0.0178	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0086	0.088	0.3694
Echinococcus multilocularis	pol protein	0.0259	0.3152	0.3152
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0156	0.1799	0.7549
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0175	0.0735
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0086	0.088	0.3694
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0178	0.0745
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Schistosoma mansoni	hypothetical protein	0.0069	0.0661	0.3672
Schistosoma mansoni	hypothetical protein	0.0032	0.0178	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2383	1
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0086	0.088	0.3694
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0066	0.0625	0.3472
Loa Loa (eye worm)	hypothetical protein	0.0045	0.035	0.1469
Brugia malayi	hypothetical protein	0.0164	0.1899	0.7967
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1899	0.7967
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0066	0.0625	0.2621
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.1077	0.4519
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.004	0.029	0.029
Brugia malayi	Phosphoglycerate kinase	0.0031	0.0172	0.0722
Giardia lamblia	Phosphoglycerate kinase	0.0086	0.088	0.4894
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0015	0.0063
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0178	0.0178
Onchocerca volvulus		0.004	0.029	0.145
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0175	0.0735
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0201	0.2383	1
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0086	0.088	0.3694
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0015	0.0084
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.006	0.0543	0.302
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0625	0.2621
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0625	0.2621
Toxoplasma gondii	hypothetical protein	0.004	0.029	0.1215
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0086	0.088	0.3694
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0044	0.0338	0.1417
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.035	0.1469
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0086	0.088	0.3694
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0015	0.0084
Schistosoma mansoni	DNA polymerase eta	0.0045	0.035	0.1946

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.000016 M l-1	Ability to inhibit simian sarcoma virus reverse transcriptase	ChEMBL.	6154141
IC50 (binding)	= 0.000016 M l-1	Ability to inhibit simian sarcoma virus reverse transcriptase	ChEMBL.	6154141
IC50 (binding)	= 0.000022 M l-1	Ability to inhibit mouse beta DNA polymerase	ChEMBL.	6154141
IC50 (binding)	= 0.000022 M l-1	Ability to inhibit mouse beta DNA polymerase	ChEMBL.	6154141
IC50 (binding)	= 0.000047 M l-1	Ability to inhibit mouse alpha DNA polymerase	ChEMBL.	6154141
Log 1/C (binding)	= 4.8	Inhibition of simian sarcoma virus reverse transcriptase	ChEMBL.	6154141
Log 1/C (binding)	= 4.33	The logarithm of the reciprocal of the concentration which produces 50% inhibition of mammalian alpha DNA polymerase.	ChEMBL.	6154141
Log 1/C (binding)	= 4.66	The logarithm of the reciprocal of the concentration which produces 50% inhibition of mammalian beta DNA polymerase.	ChEMBL.	6154141
Log 1/C (binding)	= 4.8	Inhibition of simian sarcoma virus reverse transcriptase	ChEMBL.	6154141
logP (ADMET)	= 3.71	Partition coefficient (logP)	ChEMBL.	6154141

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL88229

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 146451