TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 314.223 | Formula: C11H9F3N6O2
H donors: 4 H acceptors: 4 LogP: 1.21 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1[nH]nnc1C(=O)N)Nc1cccc(c1)C(F)(F)F
InChi: 1S/C11H9F3N6O2/c12-11(13,14)5-2-1-3-6(4-5)16-10(22)17-9-7(8(15)21)18-20-19-9/h1-4H,(H2,15,21)(H3,16,17,18,19,20,22)
InChiKey: MHUXZNRUQSVACI-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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0296	0.0296
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0296	0.0296
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0255	0.0255
Schistosoma mansoni	cation chloride cotransporter	0.0175	0.1353	0.1353
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0065	0.0065
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0078	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1353	0.1353
Schistosoma mansoni	immunophilin	0.0053	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0345	0.0345
Brugia malayi	hypothetical protein	0.0036	0.0215	0.0215
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0292	0.0292
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0114	0.1329
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0053	0.0351	0.4812
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0053	0.0351	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0114	0.0844
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0078	0.0576
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Mycobacterium tuberculosis	Probable GABA permease GabP (4-amino butyrate transport carrier) (GAMA-aminobutyrate permease)	0.0175	0.1353	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0114	0.0443
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0114	0.1565
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0053	0.0351	0.0351
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.1079	0.1079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1353	0.1353
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0351	0.2597
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0065	0.0062
Trichomonas vaginalis	aromatic amino acid transporter, putative	0.0175	0.1353	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0114	0.0844
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0065	0.0479
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.073	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0351	1
Trichomonas vaginalis	lysine-specific permease, putative	0.0175	0.1353	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0053	0.0351	0.0351
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0296	0.0296
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0078	0.0078
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0114	0.0114
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0114	0.0844
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Echinococcus granulosus	cation chloride cotransporter	0.0175	0.1353	0.1353
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.00000022913	0.0000031374
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0078	0.0078
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.00000022913	0.0000016932
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0053	0.0351	0.4812
Trichomonas vaginalis	gaba permease, putative	0.0175	0.1353	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1353	0.1353
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0114	0.1329
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0	0.5
Trichomonas vaginalis	amino acid permease, putative	0.0175	0.1353	1
Schistosoma mansoni	solute carrier family 12 electroneutral k-cl cotransporter	0.1228	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0065	0.0065
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0053	0.0351	1
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0267	0.0267
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0078	0.0078
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0078	0.0078
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Schistosoma mansoni	patched 1	0.0042	0.0267	0.0267
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP1 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0175	0.1353	1
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0175	0.1353	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Echinococcus granulosus	dna polymerase eta	0.0019	0.0078	0.0078
Schistosoma mansoni	immunophilin	0.0045	0.0292	0.0292
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Loa Loa (eye worm)	hypothetical protein	0.0099	0.073	0.073
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0292	0.0292
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0114	0.0114
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0078	0.0576
Brugia malayi	hypothetical protein	0.0175	0.1353	0.1353
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0267	0.0267
Mycobacterium ulcerans	D-serine/D-alanine/glycine transporter, CycA	0.0175	0.1353	1
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Mycobacterium ulcerans	L-asparagine permease AnsP1	0.0175	0.1353	1
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0053	0.0351	1
Onchocerca volvulus		0.0024	0.0114	0.0844
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0114	0.0844
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0267	0.1974
Entamoeba histolytica	hypothetical protein	0.0036	0.0215	0.2949
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.1079	0.1079
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0114	0.1565
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0029	0.0812
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0065	0.1846
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0078	0.0078
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.00000022913	0.00000022913
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0267	0.0267
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0351	1
Leishmania major	peptidylprolyl isomerase-like protein	0.0053	0.0351	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.073	0.073
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0065	0.0065
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0078	0.2217
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0215	0.0215
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0078	0.0162
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0114	0.0844
Schistosoma mansoni	hypothetical protein	0.0041	0.0255	0.0255
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0065	0.0065
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0053	0.0351	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0255	0.0255
Mycobacterium ulcerans	GabA permease GabP	0.0175	0.1353	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0351	0.0351
Onchocerca volvulus	Solute carrier family 12 member 9 homolog	0.0175	0.1353	1
Trichomonas vaginalis	fk506-binding protein, putative	0.0053	0.0351	0.2597
Brugia malayi	hypothetical protein	0.0175	0.1353	0.1353
Mycobacterium leprae	POSSIBLE L-ASPARAGINE PERMEASE ANSP2 (L-ASPARAGINE TRANSPORT PROTEIN)	0.0175	0.1353	1
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0078	0.0576
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0114	0.0844
Loa Loa (eye worm)	amino acid permease	0.1228	1	1
Mycobacterium tuberculosis	Probable D-serine/alanine/glycine transporter protein CycA	0.0175	0.1353	1
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0053	0.0351	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.00000022913	0.00000022913
Loa Loa (eye worm)	solute carrier family 12 member 1	0.0175	0.1353	0.1353
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Leishmania major	fk506-binding protein 1-like protein	0.0053	0.0351	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0215	0.0215
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0078	0.2217
Trichomonas vaginalis	cation chloride cotransporter, putative	0.0175	0.1353	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0078	0.0078
Schistosoma mansoni	immunophilin	0.0053	0.0351	0.0351
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0114	0.0443
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0029	0.0812
Echinococcus multilocularis	fk506 binding protein	0.0053	0.0351	0.0351
Mycobacterium tuberculosis	Possible L-asparagine permease AnsP2 (L-asparagine transport protein)	0.0175	0.1353	1
Brugia malayi	Amino acid permease family protein	0.1228	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0114	0.0114
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0065	1
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.073	0.073
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.00000022913	0.0000016932
Loa Loa (eye worm)	FKBP5 protein	0.0053	0.0351	0.0351
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0351	0.2597
Trypanosoma brucei	unspecified product	0.0019	0.0078	0.2217
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0078	0.0162
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0114	0.1565
Echinococcus granulosus	solute carrier family 12	0.1228	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0078	0.0078
Brugia malayi	Amino acid permease family protein	0.0175	0.1353	0.1353
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0296	0.0296
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0296	0.0296
Echinococcus multilocularis	cation chloride cotransporter	0.0175	0.1353	0.1353
Echinococcus granulosus	replication factor c subunit 1	0.001	0.00000022913	0.00000022913
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0078	0.0576
Schistosoma mansoni	hypothetical protein	0.0036	0.0215	0.0215
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0267	0.0267
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0296	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0078	0.2217
Brugia malayi	CHE-14 protein	0.0042	0.0267	0.0267
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0065	0.1846
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0215	0.2949
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0078	0.2217
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0053	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.1228	1	1
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Echinococcus multilocularis	protein patched	0.0042	0.0267	0.0267
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0316	0.0316
Schistosoma mansoni	hypothetical protein	0.0041	0.0255	0.0255
Echinococcus multilocularis	solute carrier family 12	0.1228	1	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0078	0.1067
Echinococcus granulosus	expressed conserved protein	0.0093	0.0681	0.0681
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.0743	0.0743
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Trypanosoma brucei	unspecified product	0.0013	0.0029	0.0812
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0053	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Brugia malayi	solute carrier family 12 member 1	0.0175	0.1353	0.1353
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0114	0.0844
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0114	0.1329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0296	0.0296
Trypanosoma brucei	unspecified product	0.0013	0.0029	0.0812
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0267	0.0267
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0053	0.0351	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0215	0.0215
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0351	0.0351
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0814	0.6602	0.6602
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0292	0.0292
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0029	0.0812
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0114	0.0114
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.00000022913	0.0000016932
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0053	0.0351	0.2597
Entamoeba histolytica	hypothetical protein	0.0036	0.0215	0.2949
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0053	0.0351	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0065	0.0065
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0114	0.0844
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0296	0.0296
Schistosoma mansoni	solute carrier family 12 k-cl cotransporter	0.0175	0.1353	0.1353
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0078	0.0078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0296	0.0296
Onchocerca volvulus	Solute carrier family 12 member 8 homolog	0.0175	0.1353	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0215	0.2949
Loa Loa (eye worm)	hypothetical protein	0.1053	0.8566	0.8566
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0114	0.0844
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0053	0.0351	0.0351
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0078	0.2217
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.073	0.073
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0114	0.0844
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.00000022913	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0078	0.2217
Trichomonas vaginalis	immunophilin, putative	0.0053	0.0351	0.2597
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0078	0.0078
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1353	1
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0681	0.0681

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.1	Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone	ChEMBL.	19026552

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: CHEMBL446913

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 949540