TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.537 | Formula: C24H24N4O3S
H donors: 1 H acceptors: 3 LogP: 3.97 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1
InChi: 1S/C24H24N4O3S/c1-30-19-12-11-16(13-20(19)31-2)22-21-17(9-6-10-18(21)29)25-23-26-24(27-28(22)23)32-14-15-7-4-3-5-8-15/h3-5,7-8,11-13,22,29H,6,9-10,14H2,1-2H3
InChiKey: BKWADWSUHRLCSF-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
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	hydroxysteroid (17-beta) dehydrogenase 10	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	scully CG7113-PA	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	scully CG7113-PA, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	Get druggable targets OG5_129031	All targets in OG5_129031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania donovani	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	Get druggable targets OG5_129031	All targets in OG5_129031
Leishmania mexicana	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	Get druggable targets OG5_129031	All targets in OG5_129031
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	3-oxoacyl-(acyl-carrier protein) reductase, putative	Get druggable targets OG5_129031	All targets in OG5_129031
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative	Get druggable targets OG5_129031	All targets in OG5_129031
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	Get druggable targets OG5_129031	All targets in OG5_129031
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	hydroxysteroid (17-beta) dehydrogenase 10	252 aa	251 aa	24.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	360 aa	361 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Treponema pallidum	alginate O-acetylation protein (algI)	0.0091	0.0787	1
Brugia malayi	MBOAT family protein	0.0091	0.0787	0.6805
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0052	0.0448
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0091	0.0787	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0388	0.0406
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0056	0.0483
Leishmania major	glycerol uptake protein, putative	0.0091	0.0787	0.7469
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.0687	0.0707
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0037	0.0218	0.1889
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0091	0.0787	0.1177
Schistosoma mansoni	hypothetical protein	0.0091	0.0787	0.0812
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0012	0.0101
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1156	0.121
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0568	0.5241
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0787	0.0823
Trypanosoma brucei	protein kinase, putative	0.0062	0.0476	0.5771
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0123	0.1109	0.116
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0214	0.185
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.007	0.0568	0.5241
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0056	0.0058
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0476	0.0498
Mycobacterium ulcerans	hypothetical protein	0.007	0.0568	0.5241
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0073	0.0596	0.5153
Trichomonas vaginalis	porcupine, putative	0.0091	0.0787	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0214	0.0212
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0073	0.0596	0.5527
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0383	0.0401
Entamoeba histolytica	hypothetical protein	0.0023	0.0076	0.0332
Onchocerca volvulus		0.0021	0.0052	0.0659
Entamoeba histolytica	hypothetical protein	0.0091	0.0787	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0021	0.0052	0.0448
Leishmania major	glycerol uptake protein, putative	0.0091	0.0787	0.7469
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0123	0.1109	0.115
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0476	0.0486
Trypanosoma cruzi	GUP1, putative	0.0091	0.0787	1
Onchocerca volvulus		0.0029	0.014	0.1775
Schistosoma mansoni	aldehyde dehydrogenase	0.0115	0.1036	0.1073
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0021	0.0052	0.0294
Loa Loa (eye worm)	MBOAT family protein	0.0091	0.0787	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0383	0.0401
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0091	0.0787	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0687	0.0718
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0091	0.0787	0.0823
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0622	0.6296	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0091	0.0787	0.0812
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0476	0.0679
Leishmania major	glycerol uptake protein, putative	0.0091	0.0787	0.7469
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0076	0.0332
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0091	0.0787	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0056	0.0483
Trypanosoma cruzi	glycerol uptake protein, putative	0.0091	0.0787	1
Loa Loa (eye worm)	MBOAT family protein	0.0091	0.0787	0.0823
Giardia lamblia	Kinase, CMGC MAPK	0.0062	0.0476	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0091	0.0787	1
Entamoeba histolytica	hypothetical protein	0.0069	0.0556	0.6859
Onchocerca volvulus		0.0021	0.0052	0.0659
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0056	0.0058
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0353	0.3267
Schistosoma mansoni	acetyl-CoA synthetase	0.0021	0.0052	0.0042
Onchocerca volvulus		0.0037	0.0218	0.2775
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0115	0.1036	1
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0052	0.0448
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0091	0.0787	0.0776
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0053	0.0383	0.3366
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0021	0.0052	0.0294
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0273	0.0262
Brugia malayi	hypothetical protein	0.0021	0.0056	0.0483
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0053	0.0383	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0123	0.1109	0.9591
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.0687	0.5938
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1156	0.121
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.007	0.0568	0.5241
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0476	0.5771
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0476	0.0486
Loa Loa (eye worm)	hypothetical protein	0.007	0.0568	0.0594
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0091	0.0787	0.0776
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0388	0.3357
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0056	0.0058
Brugia malayi	MH2 domain containing protein	0.0127	0.1156	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.007	0.0568	0.5381
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0021	0.0052	0.0042
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0115	0.1036	1
Loa Loa (eye worm)	hhat protein	0.0091	0.0787	0.0823
Schistosoma mansoni	transcription factor LCR-F1	0.0069	0.0556	0.057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0054
Schistosoma mansoni	zinc finger protein	0.0091	0.0787	0.0812
Entamoeba histolytica	acyl-coA synthetase, putative	0.007	0.0568	0.7018
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0056	0.0058
Onchocerca volvulus		0.0037	0.0218	0.2775
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0568	0.5241
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.007	0.0568	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0076	0.0535
Plasmodium vivax	acyl-CoA synthetase, putative	0.0053	0.0383	0.4506
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0091	0.0787	0.0812
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0123	0.1109	0.115
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0787	0.0823
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0091	0.0787	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0073	0.0596	0.0585
Brugia malayi	MAP kinase sur-1	0.0062	0.0476	0.4117
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0476	0.5771
Brugia malayi	MBOAT family protein	0.0091	0.0787	0.6805
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0076	0.0248
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0076	0.0039
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0052	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0787	0.0823
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0052	0.0294
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0042	0.0273	0.0286
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0091	0.0787	0.0812
Onchocerca volvulus		0.0091	0.0787	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0091	0.0787	1
Onchocerca volvulus		0.0037	0.0218	0.2775
Trichomonas vaginalis	conserved hypothetical protein	0.0091	0.0787	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.0687	0.0676
Loa Loa (eye worm)	hhat protein	0.0091	0.0787	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0214	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.0091	0.0787	1
Brugia malayi	Hhat protein	0.0091	0.0787	0.6805
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0091	0.0787	0.0812
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0091	0.0787	0.0776
Onchocerca volvulus		0.0021	0.0056	0.0709
Onchocerca volvulus		0.0021	0.0052	0.0659
Onchocerca volvulus		0.0082	0.0687	0.8725
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0076	0.0039
Onchocerca volvulus		0.007	0.0568	0.7214
Entamoeba histolytica	acyl-CoA synthetase, putative	0.007	0.0568	0.7018
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0091	0.0787	0.0812
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0053	0.0383	0.3561
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0021	0.0052	0.0294
Mycobacterium leprae	conserved hypothetical protein	0.0023	0.0076	0.0473
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0091	0.0787	1
Loa Loa (eye worm)	oxidoreductase	0.0021	0.0052	0.0054
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0091	0.0787	0.0812
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0037	0.0218	0.1889
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0091	0.0787	0.0776
Leishmania major	hypothetical protein, conserved	0.0091	0.0787	0.7469
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0076	0.0248
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0273	0.0274
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0069	0.0556	0.057
Brugia malayi	hypothetical protein	0.0069	0.0556	0.4809
Toxoplasma gondii	aldehyde dehydrogenase	0.0115	0.1036	0.1576
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0568	0.4909
Schistosoma mansoni	hypothetical protein	0.0069	0.0556	0.057
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.007	0.0568	0.5241
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.0508	0.0531
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0476	0.5771
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0052	0.0294
Trichomonas vaginalis	antibiotic synthetase, putative	0.0021	0.0052	0.0659
Entamoeba histolytica	hypothetical protein	0.0069	0.0556	0.6859
Trypanosoma brucei	glycerol uptake protein, putative	0.0091	0.0787	1
Echinococcus granulosus	sterol O acyltransferase 1	0.0937	0.9558	1
Leishmania major	glycerol uptake protein, putative	0.0091	0.0787	0.7469
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0076	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0937	0.9558	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0021	0.0052	0.0448
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0388	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0383	0.0401
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0091	0.0787	1
Entamoeba histolytica	vacuolar protein sorting 26	0.0091	0.0787	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0037	0.0218	0.1889
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0476	0.6049
Entamoeba histolytica	hypothetical protein	0.0069	0.0556	0.6859
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0115	0.1036	1
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0.0076	0.5
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0052	0.0294
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0476	0.5771
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0568	0.4909
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0012	0.0012
Trichomonas vaginalis	antibiotic synthetase, putative	0.0021	0.0052	0.0659
Schistosoma mansoni	aldehyde dehydrogenase	0.0115	0.1036	0.1073
Trypanosoma cruzi	GUP1, putative	0.0091	0.0787	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0123	0.1109	0.1099
Loa Loa (eye worm)	MBOAT family protein	0.0091	0.0787	0.0823
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0073	0.0596	0.0612
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0091	0.0787	0.1177
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0123	0.1109	0.1099
Entamoeba histolytica	hypothetical protein	0.0069	0.0556	0.6859
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.007	0.0568	0.5241
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0052	0.0448
Brugia malayi	MBOAT family protein	0.0091	0.0787	0.6805
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0568	0.5241
Plasmodium falciparum	acyl-CoA synthetase	0.0053	0.0383	0.4506
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0383	0.0401
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0021	0.0052	0.0294
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0273	0.0274
Onchocerca volvulus		0.0037	0.0218	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0383	0.0401
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0476	0.0465
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.007	0.0568	0.5381
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0476	0.6049
Onchocerca volvulus		0.0037	0.0218	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0056	0.0058
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0021	0.0052	0.0294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0273	0.0274
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0021	0.0052	0.004
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0091	0.0787	0.0812
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0021	0.0056	0.0058
Onchocerca volvulus		0.0037	0.0218	0.2775
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0073	0.0596	0.5659
Onchocerca volvulus		0.0037	0.0218	0.2775
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0073	0.0596	0.5527
Trichomonas vaginalis	conserved hypothetical protein	0.0091	0.0787	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0091	0.0787	0.0812
Mycobacterium ulcerans	acyl-CoA synthetase	0.007	0.0568	0.5241
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0476	0.431
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.0687	0.0707
Schistosoma mansoni	sterol O-acyltransferase 1	0.0937	0.9558	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0091	0.0787	0.0812
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0021	0.0052	0.0294
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0091	0.0787	0.0776
Brugia malayi	hypothetical protein	0.0021	0.0056	0.0483
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0388	0.3357
Brugia malayi	diacylglycerol acyltransferase	0.0091	0.0787	0.6805
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0052	0.0054
Entamoeba histolytica	hypothetical protein, conserved	0.0091	0.0787	1
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0091	0.0787	0.0812
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0476	0.6049
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0052	0.0054
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0042	0.0273	0.2363
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0273	0.0262
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0091	0.0787	0.0823
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0273	0.0274
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0115	0.1036	0.1026
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0076	0.0332
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0568	0.5241
Brugia malayi	AMP-binding enzyme family protein	0.007	0.0568	0.4909
Onchocerca volvulus		0.0037	0.0218	0.2775
Trypanosoma brucei	glycerol uptake protein, putative	0.0091	0.0787	1
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0476	0.6049
Onchocerca volvulus		0.0021	0.0056	0.0709
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0091	0.0787	0.0812
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0021	0.0056	0.0483
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0037	0.0218	0.0228
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.007	0.0568	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0091	0.0787	0.0812
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0476	0.0465
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0476	0.431
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0476	0.0486
Toxoplasma gondii	hypothetical protein	0.0091	0.0787	0.1177
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0052	0.0294
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0073	0.0596	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0056	0.0058
Brugia malayi	MBOAT family protein	0.0091	0.0787	0.6805
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0476	0.5771
Leishmania major	glycerol uptake protein, putative	0.0091	0.0787	0.7469
Loa Loa (eye worm)	hypothetical protein	0.007	0.0568	0.0594
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0091	0.0787	0.0812
Brugia malayi	MBOAT family protein	0.0091	0.0787	0.6805
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0012	0.0101
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0353	0.3267
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0091	0.0787	0.0776
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0353	0.3267
Entamoeba histolytica	acyl-CoA synthetase, putative	0.007	0.0568	0.7018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0353	0.3267
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0091	0.0787	0.0812
Trypanosoma cruzi	glycerol uptake protein, putative	0.0091	0.0787	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0115	0.1036	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0012
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0091	0.0787	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0115	0.1036	0.1073
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0073	0.0596	0.5527
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0052	0.0054
Echinococcus multilocularis	sterol O acyltransferase 1	0.0937	0.9558	0.9557
Leishmania major	4-coumarate:coa ligase-like protein	0.007	0.0568	0.5241
Loa Loa (eye worm)	hypothetical protein	0.0845	0.8609	0.9007
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0069	0.0556	0.0545
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0273	0.0274
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0021	0.0052	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0218	0.0228
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0115	0.1036	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0123	0.1109	0.115
Loa Loa (eye worm)	hypothetical protein	0.007	0.0568	0.0594
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0076	0.0332

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1361869

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1269779