TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.521 | Formula: C25H22F3N3O2S
H donors: 2 H acceptors: 3 LogP: 7.52 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccccc1c1sc(nc1C(F)(F)F)Nc1cccnc1Oc1ccccc1C(C)(C)C
InChi: 1S/C25H22F3N3O2S/c1-24(2,3)16-10-5-7-13-19(16)33-22-17(11-8-14-29-22)30-23-31-21(25(26,27)28)20(34-23)15-9-4-6-12-18(15)32/h4-14,32H,1-3H3,(H,30,31)
InChiKey: VCIBBTYXCNQYLH-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	purinergic receptor P2Y, G-protein coupled, 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	purinergic receptor P2Y, G-protein coupled, 1	373 aa	393 aa	17.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0922	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0426	0.0426
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0426	0.0426
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.3772	0.3772
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.019	0.0157
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2034	0.2034
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0652	0.6302
Onchocerca volvulus		0.0016	0.019	0.4469
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0426	0.0635
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0198	0.0198
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0426	0.0635
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0162	0.5348	0.5348
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0652	0.6302
Onchocerca volvulus		0.0023	0.0426	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0198	0.0366
Brugia malayi	PHD-finger family protein	0.0024	0.0467	0.0467
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.3453	1
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0219	0.0219
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.019	0.4469
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0922	0.2671
Brugia malayi	phosphofructokinase	0.0109	0.3453	0.3453
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0198	0.0198
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0922	0.0746
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.019	0.0157
Leishmania major	cathepsin L-like protease	0.0016	0.019	0.0157
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.019	0.019
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0426	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0221	0.0221
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0922	0.0922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Echinococcus granulosus	cathepsin l1	0.0016	0.019	0.019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0198	0.0366
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.019	0.019
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.3453	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0426	0.0426
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0426	0.0868
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Brugia malayi	MH2 domain containing protein	0.0118	0.3772	0.3772
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.3453	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0922	0.2366
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0652	1
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0162	0.5348	0.5348
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.019	0.019
Toxoplasma gondii	exonuclease III APE	0.0037	0.0922	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Schistosoma mansoni	bromodomain containing protein	0.0061	0.178	0.3288
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1808	0.5038
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0198	0.0366
Schistosoma mansoni	ap endonuclease	0.0037	0.0922	0.1704
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0426	0.0635
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0386	0.0386
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.3772	0.3772
Onchocerca volvulus		0.0016	0.019	0.4469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.3453	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0652	0.6302
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0844	0.0666
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0109	0.3453	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Leishmania major	cathepsin L-like protease	0.0016	0.019	0.0157
Schistosoma mansoni	hypothetical protein	0.002	0.0321	0.0592
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0426	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0927	0.0927
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0922	0.0966
Echinococcus granulosus	zinc finger protein	0.0019	0.0284	0.0284
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0652	0.1887
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Brugia malayi	Bromodomain containing protein	0.0073	0.2181	0.2181
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0922	0.2366
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0221	0.0221
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0652	1
Onchocerca volvulus		0.0016	0.019	0.4469
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0221	0.0101
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0922	0.0922
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.0652	0.6302
Loa Loa (eye worm)	hypothetical protein	0.0016	0.019	0.019
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Schistosoma mansoni	hypothetical protein	0.0164	0.5412	1
Echinococcus granulosus	6 phosphofructokinase	0.0109	0.3453	0.3453
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.019	0.4469
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0221	0.0416
Schistosoma mansoni	zinc finger protein	0.0015	0.0138	0.0255
Schistosoma mansoni	zinc finger protein	0.0019	0.0284	0.0526
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.3453	0.3453
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0221	0.0221
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.019	0.0352
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.019	0.0551
Brugia malayi	Bromodomain containing protein	0.0037	0.0925	0.0925
Leishmania major	cathepsin L-like protease	0.0016	0.019	0.0157
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.1808	0.5038
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0922	0.225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Echinococcus granulosus	geminin	0.0164	0.5412	0.5412
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0386	0.0713
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0426	0.1233
Echinococcus multilocularis	zinc finger protein	0.0019	0.0284	0.0096
Leishmania major	cathepsin L-like protease	0.0016	0.019	0.0157
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0198	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1008	0.1008
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0426	0.0635
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.1657	0.1657
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.1338	0.3622
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.019	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1074	0.1074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Onchocerca volvulus		0.0016	0.019	0.4469
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.019	0.019
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0198	0.0198
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.3453	0.6379
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0922	1
Leishmania major	ATP-dependent phosphofructokinase	0.0109	0.3453	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0294	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0109	0.3453	1
Leishmania major	cathepsin L-like protease	0.0062	0.1808	0.5038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.3453	0.6379
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0221	0.0221
Loa Loa (eye worm)	phosphofructokinase	0.0109	0.3453	0.3453
Schistosoma mansoni	hypothetical protein	0.0015	0.0138	0.0255
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0922	0.2671
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0426	0.0426
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0922	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0426	0.0635
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.3453	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1808	0.5038
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0922	0.2366
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0652	0.6302
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0426	0.0729
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0198	0.0008
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0922	0.2671
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0922	0.0922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0426	0.0426
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0426	0.0635
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.0652	0.6302
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.3453	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.1657	0.1495
Echinococcus multilocularis	muscleblind protein	0.0294	1	1
Onchocerca volvulus		0.0016	0.019	0.4469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Schistosoma mansoni	hypothetical protein	0.0164	0.5412	1
Echinococcus granulosus	muscleblind protein	0.0294	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0426	0.0635
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0221	0.0416
Loa Loa (eye worm)	cysteine protease	0.0016	0.019	0.019
Echinococcus multilocularis	geminin	0.0164	0.5412	0.5323
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.0652	0.6302
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0386	0.0199
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0426	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Onchocerca volvulus		0.0016	0.019	0.4469
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.3453	0.3453
Schistosoma mansoni	ap endonuclease	0.0037	0.0922	0.1704
Leishmania major	cathepsin L-like protease	0.0062	0.1808	0.5038
Loa Loa (eye worm)	hypothetical protein	0.0294	1	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0109	0.3453	1
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0652	0.1887
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.1618	0.4464
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.3453	1
Onchocerca volvulus		0.0016	0.019	0.4469
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0922	0.5
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1808	0.5038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Echinococcus multilocularis	muscleblind protein 1	0.0294	1	1
Brugia malayi	6-phosphofructokinase	0.0109	0.3453	0.3453
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0922	0.2366
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.3453	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0844	0.0844
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0198	0.0008
Echinococcus multilocularis	6 phosphofructokinase	0.0109	0.3453	0.3326
Leishmania major	cathepsin L-like protease	0.0062	0.1808	0.5038
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.0922	0.217
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0426	0.1233
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0162	0.5348	0.5348
Brugia malayi	6-phosphofructokinase	0.0109	0.3453	0.3453
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0321	0.0321
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0109	0.3453	1
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.019	0.4469
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.3453	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.019	0.0551
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1808	0.5038
Entamoeba histolytica	cysteine protease, putative	0.0016	0.019	0.0551
Loa Loa (eye worm)	fibroinase	0.0016	0.019	0.019
Loa Loa (eye worm)	ctsf protein	0.0016	0.019	0.019
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.019	0.0551
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0652	0.1887
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.019	0.0551
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.019	0.019
Leishmania major	cathepsin L-like protease	0.0016	0.019	0.0157
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.019	0.0551
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0426	0.0729
Brugia malayi	Cathepsin L-like precursor	0.0016	0.019	0.019
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0426	0.0868

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 435 nM	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis	ChEMBL.	23769642
Ki (binding)	= 435 nM	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis	ChEMBL.	23743287

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: CHEMBL2401862

Bibliographic References

2 literature references were 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 1780451