TDR Targets

Basic information

Technical information

TDR Targets ID: 1391970
Name: HTS 09263
MW: 289.283 | Formula: C15H15NO5
H donors: 1 H acceptors: 2 LogP: 1.85 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(o1)COc1ccc(cc1)NC(=O)C
InChi: 1S/C15H15NO5/c1-10(17)16-11-3-5-12(6-4-11)20-9-13-7-8-14(21-13)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)
InChiKey: HXMASFOMCDHEIE-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

ZINC00156243
IDI1_014145
SMR000458771
methyl 5-{[4-(acetylamino)phenoxy]methyl}-2-furoate
SR-01000638433-1
Maybridge3_002758
MLS000858781

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	putative fatty-acid--CoA ligase	0.0032	0.0036	0.0036
Mycobacterium tuberculosis	Probable fatty-acid-AMP ligase FadD25 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Brugia malayi	hypothetical protein	0.0032	0.0036	0.0036
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0	0.5
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0032	0.0036	0.1018
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 5	0.0032	0.0036	0.0037
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0032	0.0036	1
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Plasmodium vivax	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0032	0.0036	0.1018
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Echinococcus multilocularis	AMP dependent ligase	0.0032	0.0036	0.0037
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0032	0.0036	0.0037
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.011	0.0352	0.0352
Trichomonas vaginalis	AMP dependent ligase, putative	0.0032	0.0036	0.1018
Onchocerca volvulus		0.011	0.0352	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.011	0.0352	0.0369
Echinococcus multilocularis	disco interacting protein 2	0.0032	0.0036	0.0037
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.011	0.0352	0.0332
Entamoeba histolytica	acyl-CoA synthetase, putative	0.011	0.0352	1
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.2418	0.9684	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0352	0.0352
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0032	0.0036	0.1018
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.011	0.0352	0.0364
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Echinococcus granulosus	long chain fatty acid transport protein 4	0.2418	0.9684	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.011	0.0352	0.0332
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.011	0.0352	0.0364
Schistosoma mansoni	acetyl-CoA synthetase	0.011	0.0352	0.0364
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Trypanosoma brucei	fatty acyl CoA synthetase 2	0.0032	0.0036	0.1018
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.2386	0.9556	1
Leishmania major	acetyl-CoA synthetase, putative	0.011	0.0352	0.0369
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0032	0.0036	1
Leishmania major	hypothetical protein, conserved	0.0032	0.0036	0.0038
Leishmania major	long chain fatty Acyl CoA synthetase, putative	0.0032	0.0036	0.0038
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.2496	1	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Leishmania major	fatty acid transporter protein-like protein	0.2386	0.9556	1
Schistosoma mansoni	FFA transport protein	0.2418	0.9684	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0332
Trichomonas vaginalis	AMP dependent ligase, putative	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0078	0.0225	0.0235
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0032	0.0036	0.0037
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.011	0.0352	0.0369
Mycobacterium ulcerans	acyl-CoA synthetase	0.0032	0.0036	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD9	0.0032	0.0036	0.0036
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0032	0.0036	0.0037
Loa Loa (eye worm)	hypothetical protein	0.011	0.0352	0.0352
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.011	0.0352	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.011	0.0352	1
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Onchocerca volvulus		0.011	0.0352	1
Echinococcus granulosus	disco interacting protein 2	0.0032	0.0036	0.0037
Brugia malayi	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.011	0.0352	0.0364
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 1	0.0032	0.0036	0.0037
Mycobacterium ulcerans	acetyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Probable fatty-acid-AMP ligase FadD21 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.011	0.0352	0.0369
Trypanosoma brucei	fatty acyl CoA synthetase, putative	0.0032	0.0036	0.1018
Giardia lamblia	Long chain fatty acid CoA ligase 4	0.0032	0.0036	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Leishmania major	long-chain-fatty-acid-CoA ligase, putative,acyl-CoA synthetase, putative,fatty acid thiokinase (long chain), putative	0.0032	0.0036	0.0038
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.2418	0.9684	1
Brugia malayi	cDNA sequence BC018371	0.0032	0.0036	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.011	0.0352	0.0352
Brugia malayi	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD32 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase). Also shown to have acyl-ACP ligase activity.	0.0032	0.0036	0.0038
Giardia lamblia	Long chain fatty acid CoA ligase, putative	0.0032	0.0036	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase FadD15	0.0032	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.011	0.0352	0.0352
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0032	0.0036	0.1018
Trichomonas vaginalis	antibiotic synthetase, putative	0.011	0.0352	1
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.2418	0.9684	1
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Leishmania major	pantothenate kinase subunit, putative	0.0036	0.0054	0.0057
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.011	0.0352	1
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 1	0.0032	0.0036	0.0037
Leishmania major	4-coumarate:coa ligase-like protein	0.011	0.0352	0.0369
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0032	0.0036	0.1018
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.011	0.0352	1
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0032	0.0036	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.0032	0.0036	0.0036
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.011	0.0352	0.0352
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.011	0.0352	0.0332
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0369
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Loa Loa (eye worm)	hypothetical protein	0.011	0.0352	0.0352
Trypanosoma brucei	acetyl-CoA synthetase, truncated	0.0032	0.0036	0.1018
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 5	0.0032	0.0036	0.0037
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.011	0.0352	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.011	0.0352	0.0364
Giardia lamblia	Hypothetical protein	0.0032	0.0036	1
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.011	0.0352	1
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0032	0.0036	0.1018
Schistosoma mansoni	FAA1 Long-chain-fatty-acid--CoA ligase 1	0.0032	0.0036	0.0037
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 1	0.0032	0.0036	0.0037
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.011	0.0352	0.0352
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Brugia malayi	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD11	0.0032	0.0036	0.0036
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.011	0.0352	0.0369
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.011	0.0352	0.0352
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.011	0.0352	0.0352
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 5	0.0032	0.0036	0.0037
Trypanosoma brucei	pantothenate kinase subunit, putative	0.0032	0.0036	0.1018
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0036	0.0054	0.0056
Trypanosoma brucei	acyl-CoA synthetase, putative	0.0032	0.0036	0.1018
Plasmodium vivax	ATP-dependent acyl-CoA synthetase, putative	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.011	0.0352	0.0369
Trypanosoma cruzi	AMP-binding enzyme, putative	0.0032	0.0036	0.0037
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0369
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0036
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.011	0.0352	0.0369
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 1	0.0032	0.0036	0.0037
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Putative polyketide synthase Pks16	0.0032	0.0036	0.0038
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0032	0.0036	0.1018
Plasmodium vivax	acetyl-CoA synthetase, putative	0.011	0.0352	1
Mycobacterium tuberculosis	Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase)	0.0032	0.0036	0.0038
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0032	0.0036	0.1018
Trypanosoma brucei	Long-chain-fatty-acid--CoA ligase 5 (EC 6.2.1.3) (Long-chain acyl-CoA synthetase 5) (LACS 5), putative	0.0032	0.0036	0.1018
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0032	0.0036	0.0037
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.2386	0.9556	1
Trypanosoma brucei	fatty acyl CoA synthetase 3	0.0032	0.0036	0.1018
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.011	0.0352	0.0352
Trichomonas vaginalis	antibiotic synthetase, putative	0.011	0.0352	1
Leishmania major	hypothetical protein, unknown function	0.0032	0.0036	0.0038
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.011	0.0352	0.0369
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0032	0.0036	1
Onchocerca volvulus		0.011	0.0352	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.011	0.0352	0.0364
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0032	0.0036	0.0036
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 5	0.0032	0.0036	0.0037
Loa Loa (eye worm)	hypothetical protein	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0369
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0032	0.0036	0.0037
Toxoplasma gondii	hypothetical protein	0.0032	0.0036	0.1018
Brugia malayi	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Treponema pallidum	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	acyl-CoA synthetase	0.0032	0.0036	0.0036
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Schistosoma mansoni	hypothetical protein	0.0032	0.0036	0.0037
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0032	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0032	0.0036	0.0038
Trypanosoma cruzi	fatty acyl CoA synthetase, putative	0.0032	0.0036	0.0037
Trypanosoma cruzi	fatty acyl CoA synthetase, putative	0.0032	0.0036	0.0037
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.011	0.0352	0.0352
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Trypanosoma brucei	fatty acyl CoA synthetase, putative	0.0032	0.0036	0.1018
Plasmodium vivax	long-chain fatty acid CoA ligase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.011	0.0352	0.0352
Loa Loa (eye worm)	oxidoreductase	0.011	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Brugia malayi	hypothetical protein	0.0032	0.0036	0.0036
Echinococcus granulosus	AMP dependent ligase	0.0032	0.0036	0.0037
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0032	0.0036	0.0037
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.011	0.0352	1
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.2496	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Entamoeba histolytica	acyl-CoA synthetase, putative	0.011	0.0352	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Brugia malayi	Disco-interacting protein 2 homolog	0.0032	0.0036	0.0036
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 4	0.0032	0.0036	0.0037
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0032	0.0036	0.0038
Onchocerca volvulus		0.011	0.0352	1
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 4	0.0032	0.0036	0.0037
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase, FadD11	0.0032	0.0036	0.0036
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0032	0.0036	0.1018
Trypanosoma brucei	fatty acyl CoA syntetase 1	0.0032	0.0036	0.1018
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0036	0.1018
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.011	0.0352	0.0352
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0032	0.0036	0.0038
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.011	0.0352	0.0369
Echinococcus multilocularis	acyl coenzyme A synthetase family	0.0032	0.0036	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0037
Leishmania major	4-coumarate:coa ligase-like protein	0.011	0.0352	0.0369
Echinococcus granulosus	acyl coenzyme A synthetase family	0.0032	0.0036	0.0037
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.011	0.0352	0.0369
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0032	0.0036	0.0036
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Leishmania major	fatty acyl CoA syntetase 1, putative	0.0032	0.0036	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	acyl-CoA synthetase	0.011	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Entamoeba histolytica	hypothetical protein	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Probable fatty acyl-AMP ligase MbtM	0.0032	0.0036	0.0038
Plasmodium vivax	acyl-CoA synthetase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0032	0.0036	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0032	0.0036	0.0036
Mycobacterium ulcerans	hypothetical protein	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0032	0.0036	0.1018
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.011	0.0352	0.0352
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.011	0.0352	0.0364
Onchocerca volvulus		0.011	0.0352	1
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0032	0.0036	0.1018
Leishmania major	fatty acyl CoA synthetase 2, putative	0.0032	0.0036	0.0038
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Schistosoma mansoni	hypothetical protein	0.0205	0.0735	0.076
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Leishmania major	4-coumarate:coa ligase-like protein	0.011	0.0352	0.0369
Schistosoma mansoni	hypothetical protein	0.0205	0.0735	0.076
Leishmania major	acetyl-CoA synthetase, putative	0.011	0.0352	0.0369
Mycobacterium ulcerans	acyl-CoA synthetase	0.0032	0.0036	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.011	0.0352	0.0352
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD11 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.0036	0.0038
Mycobacterium ulcerans	acyl-CoA synthetase	0.0032	0.0036	0.0036
Schistosoma mansoni	AMP dependent ligase	0.0032	0.0036	0.0037
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.011	0.0352	0.0369
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0032	0.0036	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0036
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.011	0.0352	0.0332
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD34 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.0036	0.0038
Trichomonas vaginalis	AMP dependent ligase, putative	0.0032	0.0036	0.1018
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0032	0.0036	0.1018
Echinococcus multilocularis	geminin	0.0205	0.0735	0.076
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0036
Trypanosoma brucei	fatty acyl CoA synthetase 4	0.0032	0.0036	0.1018
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0032	0.0036	0.0036
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase FadD15	0.0032	0.0036	0.0036
Plasmodium falciparum	acyl-CoA synthetase	0.0032	0.0036	0.1018
Toxoplasma gondii	propionate-CoA ligase	0.011	0.0352	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0032	0.0036	0.0036
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0032	0.0036	0.0038
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0032	0.0036	0.1018
Echinococcus granulosus	geminin	0.0205	0.0735	0.076
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.0036	0.0038
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0032	0.0036	0.0037

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5805 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.6169 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	2.9362 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1525428

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1391970