TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 583.676 | Formula: C30H41N5O7
H donors: 3 H acceptors: 6 LogP: 0.3 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(OCCN)cc(n1)c1ccccc1)CCC(=O)O
InChi: 1S/C30H41N5O7/c1-2-3-4-8-18-42-30(40)35-16-14-34(15-17-35)29(39)24(11-12-27(36)37)33-28(38)26-21-23(41-19-13-31)20-25(32-26)22-9-6-5-7-10-22/h5-7,9-10,20-21,24H,2-4,8,11-19,31H2,1H3,(H,33,38)(H,36,37)/t24-/m0/s1
InChiKey: HPCOVPCWCCFECE-DEOSSOPVSA-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, 12	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0232	0.0263
Loa Loa (eye worm)	nuclear factor I	0.0005	0.0015	0.0017
Echinococcus granulosus	smad	0.0009	0.0077	0.0087
Echinococcus granulosus	aldo keto reductase	0.0584	0.8838	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0014	0.0158	0.0165
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0232	0.0263
Echinococcus multilocularis	geminin	0.0138	0.2041	0.2041
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.0232	0.0236
Brugia malayi	RNA binding protein	0.0071	0.1016	0.115
Entamoeba histolytica	aldose reductase, putative	0.0584	0.8838	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0584	0.8838	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0169	0.2516	0.2827
Echinococcus granulosus	aldehyde reductase	0.0415	0.626	0.7083
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0584	0.8838	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0584	0.8838	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0169	0.2516	0.2832
Echinococcus granulosus	voltage gated potassium channel subunit	0.0169	0.2516	0.2847
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0019	0.0232	0.0236
Schistosoma mansoni	hypothetical protein	0.0018	0.0207	0.0234
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0232	0.0236
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0584	0.8838	1
Echinococcus multilocularis	aldo keto reductase	0.0584	0.8838	0.8838
Brugia malayi	MH1 domain containing protein	0.0009	0.0077	0.0087
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.1016	0.115
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Schistosoma mansoni	aldo-keto reductase	0.0584	0.8838	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0146	0.0151
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0048	0.0055
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0232	0.0236
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0232	0.0236
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0037	0.0506	0.0572
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0169	0.2516	0.2847
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0146	0.0151
Loa Loa (eye worm)	Smad1	0.0009	0.0077	0.0087
Brugia malayi	F/Y-rich N-terminus family protein	0.0007	0.0047	0.0053
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0232	0.0236
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0077	0.0087
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0023	0.0294	0.0333
Echinococcus granulosus	Smad4	0.0009	0.0077	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0232	0.0263
Plasmodium vivax	aldehyde reductase, putative	0.0169	0.2516	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0006	0.0027	0.0027
Onchocerca volvulus		0.0006	0.0025	0.0028
Mycobacterium leprae	Conserved hypothetical protein	0.0415	0.626	0.7075
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0158	0.0179
Trichomonas vaginalis	aldo/keto reductase, putative	0.0584	0.8838	1
Echinococcus granulosus	aldo keto reductase	0.0584	0.8838	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.1016	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0158	0.0179
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1016	0.115
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0006	0.0025	0.0014
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0169	0.2516	0.2827
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0232	0.0236
Brugia malayi	MH2 domain containing protein	0.0009	0.0077	0.0087
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0207	0.0234
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0006	0.0025	0.0028
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0006	0.0025	0.0014
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1016	0.115
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0169	0.2516	0.2516
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0006	0.0025	0.0014
Brugia malayi	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Trypanosoma brucei	aldo/keto reductase, putative	0.0169	0.2516	0.2827
Echinococcus granulosus	GPCR family 2	0.0018	0.0207	0.0234
Schistosoma mansoni	acetyl-CoA synthetase	0.0006	0.0025	0.0028
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0077	0.0087
Brugia malayi	TAR-binding protein	0.0071	0.1016	0.115
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0786	0.089
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0077	0.0077
Echinococcus granulosus	tar DNA binding protein	0.0071	0.1016	0.115
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.0232	0.0236
Entamoeba histolytica	acyl-coA synthetase, putative	0.0019	0.0232	0.0236
Echinococcus granulosus	geminin	0.0138	0.2041	0.2309
Loa Loa (eye worm)	oxidoreductase	0.0584	0.8838	1
Loa Loa (eye worm)	oxidoreductase	0.0584	0.8838	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.0506	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0158	0.0179
Echinococcus multilocularis	aldo keto reductase	0.0584	0.8838	0.8838
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0014	0.0158	0.0151
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0169	0.2516	0.2847
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0207	0.0207
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0584	0.8838	1
Echinococcus granulosus	dnaJ subfamily B	0.0333	0.5013	0.5673
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0169	0.2516	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0518	0.0586
Echinococcus multilocularis	dnaJ subfamily B	0.0333	0.5013	0.5013
Brugia malayi	MH2 domain containing protein	0.0133	0.197	0.2229
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0158	0.0179
Schistosoma mansoni	aldo-keto reductase	0.0584	0.8838	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Giardia lamblia	Aldose reductase	0.0584	0.8838	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0006	0.0027	0.003
Trypanosoma brucei	prostaglandin f synthase	0.0584	0.8838	1
Loa Loa (eye worm)	oxidoreductase	0.0006	0.0025	0.0028
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0077	0.0087
Schistosoma mansoni	hypothetical protein	0.0018	0.0207	0.0234
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0006	0.0025	0.0006
Onchocerca volvulus		0.0584	0.8838	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0006	0.0027	0.0027
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0006	0.0025	0.0014
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0169	0.2516	0.2827
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0207	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0158	0.0179
Brugia malayi	MH1 domain containing protein	0.0005	0.0015	0.0017
Schistosoma mansoni	hypothetical protein	0.0333	0.5013	0.5673
Plasmodium vivax	acyl-CoA synthetase, putative	0.0014	0.0158	0.0536
Schistosoma mansoni	hypothetical protein	0.0138	0.2041	0.2309
Loa Loa (eye worm)	RNA binding protein	0.0071	0.1016	0.115
Plasmodium falciparum	aldehyde reductase, putative	0.0169	0.2516	1
Onchocerca volvulus		0.0584	0.8838	1
Echinococcus multilocularis	cpg binding protein	0.0025	0.0315	0.0315
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0169	0.2516	0.2847
Schistosoma mansoni	potassium channel beta	0.0169	0.2516	0.2847
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.0232	0.0236
Onchocerca volvulus		0.0006	0.0025	0.0028
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.1016	0.115
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0584	0.8838	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0025	0.0028
Onchocerca volvulus		0.0584	0.8838	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0169	0.2516	0.2832
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Onchocerca volvulus		0.0169	0.2516	0.2847
Schistosoma mansoni	Smad4	0.0009	0.0077	0.0087
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0077	0.0087
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0584	0.8838	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0014	0.0158	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0232	0.0263
Mycobacterium ulcerans	hypothetical protein	0.0019	0.0232	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0015	0.0017
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0006	0.0025	0.0014
Brugia malayi	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0232	0.0263
Schistosoma mansoni	hypothetical protein	0.0018	0.0207	0.0234
Mycobacterium ulcerans	oxidoreductase	0.0584	0.8838	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0584	0.8838	1
Echinococcus multilocularis	aldo keto reductase	0.0584	0.8838	0.8838
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0786	0.089
Brugia malayi	MH2 domain containing protein	0.0009	0.0077	0.0087
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0006	0.0025	0.0014
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0006	0.0025	0.0028
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0207	0.0234
Plasmodium falciparum	acyl-CoA synthetase	0.0014	0.0158	0.0536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.0506	0.0572
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0146	0.0151
Echinococcus multilocularis	aldehyde reductase	0.0415	0.626	0.626
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.005	0.0694	0.0785
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0584	0.8838	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0518	0.0586
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0006	0.0025	0.0014
Echinococcus granulosus	hypothetical protein	0.0584	0.8838	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0786	0.089
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0006	0.0027	0.003
Loa Loa (eye worm)	oxidoreductase	0.0584	0.8838	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0006	0.0025	0.0014
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0006	0.0025	0.0014
Schistosoma mansoni	pol-related	0.0584	0.8838	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0025	0.0028
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0077	0.0087
Echinococcus granulosus	aldo keto reductase	0.0584	0.8838	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1016	0.115
Schistosoma mansoni	hypothetical protein	0.0038	0.0518	0.0586
Leishmania major	prostaglandin f synthase, putative	0.0584	0.8838	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0584	0.8838	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0037	0.0506	0.0572
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0006	0.0027	0.003
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0146	0.0151
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0006	0.0025	0.0014
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0019	0.0232	0.0249
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0037	0.0506	0.0506
Entamoeba histolytica	aldose reductase, putative	0.0584	0.8838	1
Mycobacterium ulcerans	hypothetical protein	0.0169	0.2516	0.2827
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Onchocerca volvulus		0.0584	0.8838	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1016	0.115
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0019	0.0232	0.0236
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0207	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0207	0.0234
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0169	0.2516	0.2827
Trichomonas vaginalis	antibiotic synthetase, putative	0.0006	0.0025	0.0006
Toxoplasma gondii	aldo-keto reductase	0.0169	0.2516	0.2827
Toxoplasma gondii	aldose reductase, putative	0.0584	0.8838	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0584	0.8838	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0037	0.0506	0.0572
Brugia malayi	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Mycobacterium leprae	Possible oxidoreductase	0.0169	0.2516	0.2827
Onchocerca volvulus		0.0584	0.8838	1
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.1016	0.115
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Onchocerca volvulus		0.0123	0.1813	0.2052
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0077	0.0077
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0584	0.8838	1
Echinococcus multilocularis	smad	0.0009	0.0077	0.0077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.0506	0.0572
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.197	0.2229
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0207	0.0234
Trichomonas vaginalis	aldo-keto reductase, putative	0.0169	0.2516	0.2832
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Brugia malayi	CXXC zinc finger family protein	0.0023	0.0294	0.0333
Schistosoma mansoni	cpg binding protein	0.0023	0.0294	0.0333
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0037	0.0506	0.0506
Brugia malayi	MH1 domain containing protein	0.0005	0.0015	0.0017
Onchocerca volvulus		0.0023	0.0294	0.0333
Mycobacterium tuberculosis	Probable oxidoreductase	0.0584	0.8838	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0169	0.2516	0.2832
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0786	0.089
Brugia malayi	MH1 domain containing protein	0.0009	0.0077	0.0087
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0207	0.0207
Loa Loa (eye worm)	oxidoreductase	0.0584	0.8838	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1016	0.115
Schistosoma mansoni	cpg binding protein	0.0025	0.0315	0.0356
Echinococcus granulosus	cpg binding protein	0.0025	0.0315	0.0356
Schistosoma mansoni	smad	0.0009	0.0077	0.0087
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0232	0.0249
Onchocerca volvulus		0.0006	0.0025	0.0028
Onchocerca volvulus		0.0006	0.0025	0.0028
Plasmodium falciparum	aldo-keto reductase, putative	0.0169	0.2516	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0584	0.8838	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0584	0.8838	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.0232	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1813	0.2052
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Mycobacterium tuberculosis	Conserved protein	0.0169	0.2516	0.2837
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0584	0.8838	0.8838
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0232	0.0236
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0232	0.0263
Brugia malayi	Smad1	0.0009	0.0077	0.0087
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0006	0.0025	0.0028
Schistosoma mansoni	hypothetical protein	0.0018	0.0207	0.0234
Schistosoma mansoni	cpg binding protein	0.0025	0.0315	0.0356
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0169	0.2516	0.2827
Onchocerca volvulus		0.0019	0.0232	0.0263
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0037	0.0506	0.0572
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0019	0.0232	0.0236
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0077	0.0087
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0077	0.0087
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0077	0.0087
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0584	0.8838	1
Schistosoma mansoni	microtubule-associated protein tau	0.0562	0.8501	0.9619
Echinococcus granulosus	microtubule associated protein 2	0.0562	0.8501	0.9619
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0207	0.0207
Schistosoma mansoni	hypothetical protein	0.0138	0.2041	0.2309
Echinococcus multilocularis	aldo keto reductase	0.0584	0.8838	0.8838
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0006	0.0025	0.0014
Trypanosoma cruzi	aldo/keto reductase, putative	0.0169	0.2516	0.2827
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0232	0.0236
Echinococcus multilocularis	microtubule associated protein 2	0.0562	0.8501	0.8501
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0044	0.0613	0.0668
Loa Loa (eye worm)	histone methyltransferase	0.0007	0.0048	0.0055
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.197	0.2229
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0006	0.0025	0.0025
Giardia lamblia	Aldose reductase	0.0584	0.8838	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Leishmania major	aldo-keto reductase-like protein	0.0584	0.8838	1
Brugia malayi	AMP-binding enzyme family protein	0.0006	0.0025	0.0028
Loa Loa (eye worm)	oxidoreductase	0.0584	0.8838	1
Loa Loa (eye worm)	hypothetical protein	0.0584	0.8838	1
Brugia malayi	NADH-dependent xylose reductase	0.0169	0.2516	0.2847
Echinococcus multilocularis	Smad4	0.0009	0.0077	0.0077
Onchocerca volvulus		0.0584	0.8838	1
Trichomonas vaginalis	conserved hypothetical protein	0.0169	0.2516	0.2832
Entamoeba histolytica	aldose reductase, putative	0.0584	0.8838	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0584	0.8838	1
Brugia malayi	hypothetical protein	0.0123	0.1813	0.2052
Trypanosoma cruzi	aldo-keto reductase	0.0584	0.8838	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 8.4 nM	Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells	ChEMBL.	20141147

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: CHEMBL591367

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1087847