TDR Targets

Basic information

Technical information

TDR Targets ID: 1388968
Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(4-methylphen yl)-1,4-diazepane-1-carboxamide
MW: 440.558 | Formula: C23H28N4O3S
H donors: 1 H acceptors: 3 LogP: 2.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1ccc2c1ccc(c2)S(=O)(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C
InChi: 1S/C23H28N4O3S/c1-3-25-14-11-19-17-21(9-10-22(19)25)31(29,30)27-13-4-12-26(15-16-27)23(28)24-20-7-5-18(2)6-8-20/h5-11,14,17H,3-4,12-13,15-16H2,1-2H3,(H,24,28)
InChiKey: HBATXVQRGKDMGP-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

4-[(1-ethyl-5-indolyl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
G589-0405
NCGC00131941-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Giardia lamblia	Long chain fatty acid CoA ligase, putative	0.0023	0.0008	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0003	0.0003
Toxoplasma gondii	hypothetical protein	0.0023	0.0008	0.0252
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0003	0.0096
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0023	0.0008	0.0008
Leishmania major	DNA polymerase eta, putative	0.0022	0.0003	0.0003
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0079	0.0325	0.0341
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0079	0.0325	0.0325
Schistosoma mansoni	FAA1 Long-chain-fatty-acid--CoA ligase 1	0.0023	0.0008	0.0008
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0023	0.0008	0.0252
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 5	0.0023	0.0008	0.0008
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0079	0.0325	0.0332
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0023	0.0008	0.0252
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0023	0.0008	0.0008
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0079	0.0325	0.0325
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0003	0.0003
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0003	0.0003
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0079	0.0325	0.0341
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0	0.5
Onchocerca volvulus		0.0079	0.0325	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0079	0.0325	0.0336
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0079	0.0325	0.0325
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0023	0.0008	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0079	0.0325	0.0336
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0079	0.0325	0.0325
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 1	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0008	0.0008
Leishmania major	pantothenate kinase subunit, putative	0.0027	0.0032	0.0034
Plasmodium vivax	long-chain fatty acid CoA ligase, putative	0.0023	0.0008	0.0252
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0003	0.0003
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Trichomonas vaginalis	antibiotic synthetase, putative	0.0079	0.0325	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Toxoplasma gondii	type I fatty acid synthase, putative	0.0023	0.0008	0.0252
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0341
Leishmania major	hypothetical protein, unknown function	0.0023	0.0008	0.0009
Trichomonas vaginalis	AMP dependent ligase, putative	0.0023	0.0008	0.0252
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0079	0.0325	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.0008	0.0252
Schistosoma mansoni	FFA transport protein	0.1749	0.9683	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0341
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Brugia malayi	cDNA sequence BC018371	0.0023	0.0008	0.0008
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0003	0.0096
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.1749	0.9683	1
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0332
Trichomonas vaginalis	AMP dependent ligase, putative	0.0023	0.0008	0.0252
Onchocerca volvulus		0.0079	0.0325	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0079	0.0325	1
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Plasmodium vivax	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0023	0.0008	0.0252
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.0008	0.0252
Onchocerca volvulus		0.0079	0.0325	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0325	0.0325
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0079	0.0325	0.0325
Brugia malayi	hypothetical protein	0.0023	0.0008	0.0008
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0922	0.5047	0.5212
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0023	0.0008	0.0008
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0079	0.0325	1
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD11	0.0023	0.0008	0.0008
Mycobacterium tuberculosis	Probable fatty acyl-AMP ligase MbtM	0.0023	0.0008	0.0009
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0003	0.3817
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Entamoeba histolytica	hypothetical protein	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 1	0.0023	0.0008	0.0008
Trypanosoma brucei	fatty acyl CoA syntetase 1	0.0023	0.0008	0.0252
Toxoplasma gondii	propionate-CoA ligase	0.0079	0.0325	1
Echinococcus multilocularis	acyl coenzyme A synthetase family	0.0023	0.0008	0.0008
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.1806	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Echinococcus granulosus	disco interacting protein 2	0.0023	0.0008	0.0008
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 5	0.0023	0.0008	0.0008
Leishmania major	acetyl-CoA synthetase, putative	0.0079	0.0325	0.0341
Mycobacterium ulcerans	putative fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.1726	0.9555	1
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 1	0.0023	0.0008	0.0008
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trichomonas vaginalis	AMP dependent CoA ligase, putative	0.0023	0.0008	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0079	0.0325	0.0332
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0003	0.0003
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0079	0.0325	0.0325
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0079	0.0325	0.0332
Leishmania major	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0009
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0003	0.0003
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.1726	0.9555	1
Echinococcus multilocularis	AMP dependent ligase	0.0023	0.0008	0.0008
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.0008	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0325	0.0325
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase, FadD11	0.0023	0.0008	0.0008
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.0008	0.0009
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0008	0.0008
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Loa Loa (eye worm)	oxidoreductase	0.0079	0.0325	0.0325
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase FadD15	0.0023	0.0008	0.0008
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0008	0.0008
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0079	0.0325	1
Brugia malayi	Disco-interacting protein 2 homolog	0.0023	0.0008	0.0008
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0003	0.0003
Trypanosoma brucei	fatty acyl CoA synthetase, putative	0.0023	0.0008	0.0252
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trypanosoma brucei	fatty acyl CoA synthetase 4	0.0023	0.0008	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Trypanosoma brucei	fatty acyl CoA synthetase, putative	0.0023	0.0008	0.0252
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.0008	0.0008
Leishmania major	long-chain-fatty-acid-CoA ligase, putative,acyl-CoA synthetase, putative,fatty acid thiokinase (long chain), putative	0.0023	0.0008	0.0009
Leishmania major	hypothetical protein, conserved	0.0023	0.0008	0.0009
Echinococcus granulosus	dna polymerase eta	0.0022	0.0003	0.0003
Trypanosoma brucei	unspecified product	0.0022	0.0003	0.0096
Leishmania major	acetyl-CoA synthetase, putative	0.0079	0.0325	0.0341
Mycobacterium tuberculosis	Probable fatty-acid-AMP ligase FadD25 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0003	0.0003
Trypanosoma brucei	acetyl-CoA synthetase, truncated	0.0023	0.0008	0.0252
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0023	0.0008	0.5
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0003	0.0003
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0023	0.0008	0.0252
Trypanosoma brucei	fatty acyl CoA synthetase 3	0.0023	0.0008	0.0252
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0079	0.0325	0.0336
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0008	0.0008
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0003	0.0003
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 4	0.0023	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0003	0.0003
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0079	0.0325	1
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0023	0.0008	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0079	0.0325	1
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0079	0.0325	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 5	0.0023	0.0008	0.0008
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0079	0.0325	0.0336
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0341
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0079	0.0325	0.0341
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD29 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Leishmania major	4-coumarate:coa ligase-like protein	0.0079	0.0325	0.0341
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Echinococcus granulosus	long chain fatty acid coenzyme A ligase 4	0.0023	0.0008	0.0008
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.1806	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0079	0.0325	0.0325
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	0.0023	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0003	0.0003
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.0008	0.0252
Leishmania major	long chain fatty Acyl CoA synthetase, putative	0.0023	0.0008	0.0009
Treponema pallidum	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0079	0.0325	0.0336
Trichomonas vaginalis	long-chain-fatty-acid CoA ligase, putative	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0325	0.0325
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0079	0.0325	0.0341
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0008	0.0009
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0003	0.0003
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0008	0.0008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Echinococcus granulosus	AMP dependent ligase	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0003	0.0096
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0023	0.0008	0.0008
Schistosoma mansoni	acetyl-CoA synthetase	0.0079	0.0325	0.0336
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0008	0.0008
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0079	0.0325	0.0325
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0079	0.0325	0.0341
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0079	0.0325	0.0341
Trypanosoma cruzi	fatty acyl CoA synthetase, putative	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Plasmodium vivax	ATP-dependent acyl-CoA synthetase, putative	0.0023	0.0008	0.0252
Entamoeba histolytica	acyl-coA synthetase, putative	0.0079	0.0325	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0325	0.0325
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD9	0.0023	0.0008	0.0008
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0003	0.0003
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0023	0.0008	1
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD28 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0008	0.0252
Trypanosoma cruzi	AMP-binding enzyme, putative	0.0023	0.0008	0.0008
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 5	0.0023	0.0008	0.0008
Trypanosoma brucei	fatty acyl CoA synthetase 2	0.0023	0.0008	0.0252
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0003	0.0003
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0003	0.0003
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0079	0.0325	1
Schistosoma mansoni	disco-interacting protein 2 (dip2)	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0008	0.0008
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0079	0.0325	0.0325
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Echinococcus multilocularis	long chain fatty acid coenzyme A ligase 1	0.0023	0.0008	0.0008
Echinococcus granulosus	long chain fatty acid transport protein 4	0.1749	0.9683	1
Trypanosoma cruzi	fatty acyl CoA synthetase, putative	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0079	0.0325	0.0325
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0023	0.0008	0.0252
Mycobacterium ulcerans	hypothetical protein	0.0079	0.0325	0.0325
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0079	0.0325	1
Trypanosoma brucei	acyl-CoA synthetase, putative	0.0023	0.0008	0.0252
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0003	0.0003
Leishmania major	4-coumarate:coa ligase-like protein	0.0079	0.0325	0.0341
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.1749	0.9683	1
Brugia malayi	hypothetical protein	0.0023	0.0008	0.0008
Trypanosoma brucei	pantothenate kinase subunit, putative	0.0023	0.0008	0.0252
Mycobacterium tuberculosis	Putative polyketide synthase Pks16	0.0023	0.0008	0.0009
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD32 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase). Also shown to have acyl-ACP ligase activity.	0.0023	0.0008	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0008	0.0008
Trichomonas vaginalis	AMP dependent ligase/synthetase, putative	0.0023	0.0008	0.0252
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0003	0.0003
Trichomonas vaginalis	AMP dependent ligase, putative	0.0023	0.0008	0.0252
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0003	0.0003
Mycobacterium tuberculosis	Probable acyl-CoA ligase FadD31 (acyl-CoA synthetase) (acyl-CoA synthase)	0.0023	0.0008	0.0009
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0079	0.0325	0.0325
Onchocerca volvulus		0.0079	0.0325	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0079	0.0325	0.0341
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0079	0.0325	0.0325
Plasmodium vivax	hypothetical protein, conserved	0.0023	0.0008	0.0252
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0003	0.0096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD26 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0003	0.0003
Giardia lamblia	Long chain fatty acid CoA ligase 4	0.0023	0.0008	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0325	0.0325
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0003	0.0096
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0079	0.0325	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0003	0.0003
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0057	0.0197	0.0207
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0079	0.0325	0.0341
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Giardia lamblia	Hypothetical protein	0.0023	0.0008	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD34 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0008	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Giardia lamblia	Long chain fatty acid CoA ligase 5	0.0023	0.0008	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0079	0.0325	0.0336
Mycobacterium tuberculosis	Probable fatty-acid-AMP ligase FadD21 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0023	0.0008	0.0009
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0003	0.0003
Schistosoma mansoni	AMP dependent ligase	0.0023	0.0008	0.0008
Echinococcus multilocularis	disco interacting protein 2	0.0023	0.0008	0.0008
Leishmania major	fatty acid transporter protein-like protein	0.1726	0.9555	1
Onchocerca volvulus		0.0079	0.0325	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0079	0.0325	0.0325
Leishmania major	fatty acyl CoA syntetase 1, putative	0.0023	0.0008	0.0009
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Echinococcus granulosus	acyl coenzyme A synthetase family	0.0023	0.0008	0.0008
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.1749	0.9683	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Trypanosoma cruzi	fatty acyl CoA syntetase 1, putative	0.0023	0.0008	0.0008
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0003	0.0096
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0079	0.0325	0.0332
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0027	0.0032	0.0033
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD11 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0008	0.0009
Brugia malayi	AMP-binding enzyme family protein	0.0079	0.0325	0.0325
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0341
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0023	0.0008	0.0009
Plasmodium falciparum	acyl-CoA synthetase	0.0023	0.0008	0.0252
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase FadD15	0.0023	0.0008	0.0008
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0079	0.0325	0.0341
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0003	0.0096
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0003	0.0003
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0003	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0008	0.0008
Schistosoma mansoni	long-chain-fatty-acid--CoA ligase	0.0023	0.0008	0.0008
Trypanosoma cruzi	fatty acyl CoA synthetase 2, putative	0.0023	0.0008	0.0008
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0079	0.0325	0.0325
Leishmania major	4-coumarate:coa ligase-like protein	0.0079	0.0325	0.0341
Trypanosoma brucei	Long-chain-fatty-acid--CoA ligase 5 (EC 6.2.1.3) (Long-chain acyl-CoA synthetase 5) (LACS 5), putative	0.0023	0.0008	0.0252
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	acyl-CoA synthetase	0.0079	0.0325	0.0325
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0079	0.0325	0.0341
Plasmodium vivax	acyl-CoA synthetase, putative	0.0023	0.0008	0.0252
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0023	0.0008	0.0252
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0023	0.0008	0.0008

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1531418

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1388968