TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 229.339 | Formula: C11H19NO2S
H donors: 1 H acceptors: 2 LogP: 2.62 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCC(=O)N[C@H]1CCSC1=O
InChi: 1S/C11H19NO2S/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChiKey: ADCZXVKUSUVVSA-VIFPVBQESA-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
Aliivibrio fischeri	Transcriptional activator protein luxR	Starlite/ChEMBL	References
Agrobacterium tumefaciens	Transcriptional activator protein traR	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0122	0.0266
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0287	0.0747
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0068	0.0127
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0026	0.0306	0.0532
Brugia malayi	beta-lactamase family protein	0.0042	0.0566	0.1417
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0287	0.9381
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0191	0.0446
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0142	0.2251
Echinococcus multilocularis	muscleblind protein 1	0.0179	0.2691	0.4954
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0068	0.0091
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0566	1
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0858	0.2174
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0566	0.1525
Mycobacterium leprae	PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN	0.0238	0.3606	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0019	0.0038
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Echinococcus multilocularis	lamin	0.0027	0.0327	0.0571
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0858	0.3117
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0026	0.0306	0.5246
Brugia malayi	hypothetical protein	0.0026	0.0306	0.0743
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0566	0.1368
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0287	0.0747
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0287	0.0747
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0026	0.0306	0.0287
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0306	0.0743
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0068	0.0897
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0012	0.0089	0.007
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0068	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0287	0.9381
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0026	0.0306	0.0532
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0566	0.1014
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Treponema pallidum	DNA ligase (lig)	0.001	0.0068	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0287	0.0694
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0676	0.1218
Schistosoma mansoni	topbp1	0.001	0.0068	0.0247
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0287	0.0747
Echinococcus multilocularis	survival motor neuron protein 1	0.0256	0.3879	0.7156
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0026	0.0306	0.5246
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0068	0.0137
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0566	0.1368
Onchocerca volvulus		0.001	0.0068	0.0702
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0566	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0191	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2117	0.5435
Echinococcus granulosus	nibrin	0.001	0.0068	0.0091
Schistosoma mansoni	hypothetical protein	0.0183	0.2753	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0068	0.0897
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0068	0.0049
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.0238	0.3606	0.8766
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0327	0.0797
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0.0019	0.0019
Brugia malayi	TATA binding protein associated factor	0.0026	0.0306	0.0743
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0068	0.0091
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0068	0.0137
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0068	0.0897
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0566	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0327	0.0797
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0566	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0713	0.1799
Loa Loa (eye worm)	RecQ helicase	0.0028	0.0347	0.0848
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0566	0.2055
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0858	0.1556
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0287	0.0747
Echinococcus granulosus	intermediate filament protein	0.0027	0.0327	0.0571
Mycobacterium ulcerans	aminopeptidase N PepN	0.0026	0.0306	0.08
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.0238	0.3606	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Entamoeba histolytica	recQ family helicase, putative	0.0015	0.0142	0.4646
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0026	0.0306	0.5246
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0566	0.1417
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0566	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0676	0.2455
Echinococcus multilocularis	bloom syndrome protein	0.0028	0.0347	0.0607
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.0238	0.3606	1
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0068	0.0068
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0327	0.1187
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.0238	0.3606	0.8766
Brugia malayi	Peptidase family M1 containing protein	0.0026	0.0306	0.0743
Trypanosoma brucei	Aminopeptidase M1, putative	0.0026	0.0306	0.5246
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0566	0.1417
Brugia malayi	Bloom's syndrome protein homolog	0.0028	0.0347	0.0848
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0566	0.1368
Onchocerca volvulus		0.0042	0.0566	0.7827
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0122	0.1877
Brugia malayi	topoisomerase	0.001	0.0068	0.0127
Trichomonas vaginalis	esterase, putative	0.0042	0.0566	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0327	0.0797
Echinococcus multilocularis	muscleblind protein	0.0179	0.2691	0.4954
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0191	0.0172
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0089	0.0089
Schistosoma mansoni	DNA ligase IV	0.001	0.0068	0.0247
Schistosoma mansoni	hypothetical protein	0.0052	0.0718	0.2606
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0191	0.0446
Trichomonas vaginalis	DNA helicase recq, putative	0.0028	0.0347	0.5989
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0176	0.0419
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0327	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0026	0.0306	0.1111
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0132	0.0293
Brugia malayi	Peptidase family M1 containing protein	0.0026	0.0306	0.0743
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0068	0.0897
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.011	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0102	0.0216
Echinococcus multilocularis	musashi	0.0027	0.0327	0.0571
Brugia malayi	hypothetical protein	0.0256	0.3879	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0566	0.1368
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0068	0.2225
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0566	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0566	0.1368
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0068	0.0897
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0019	0.0038
Mycobacterium ulcerans	lipase LipD	0.0042	0.0566	0.1525
Echinococcus granulosus	geminin	0.0183	0.2753	0.507
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0.0122	0.0286
Mycobacterium ulcerans	aminopeptidase N PepN	0.0026	0.0306	0.08
Mycobacterium ulcerans	two component transcriptional regulator	0.0238	0.3606	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0718	0.181
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0287	0.0747
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0566	0.1525
Brugia malayi	Muscleblind-like protein	0.0179	0.2691	0.6923
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0068	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2691	0.6923
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0026	0.0306	0.0532
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0068	0.0897
Echinococcus multilocularis	lamin dm0	0.0027	0.0327	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0694
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0176	0.0419
Brugia malayi	hypothetical protein	0.001	0.0068	0.0127
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0176	0.0419
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0287	0.4899
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0858	0.1556
Entamoeba histolytica	aminopeptidase, putative	0.0026	0.0306	1
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0858	0.2174
Echinococcus granulosus	tumor protein p63	0.0354	0.5413	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0026	0.0306	0.5246
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0026	0.0306	0.5246
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0019	0.0204	0.0186
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0089	0.0181
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0019	0.0038
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0068	0.0897
Onchocerca volvulus		0.0026	0.0306	0.4106
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.0238	0.3606	0.8766
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0026	0.0306	0.0287
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0271	0.4113	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0026	0.0306	0.5246
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0676	0.1702
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0019	0.0038
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0566	0.1525
Trypanosoma brucei	aminopeptidase, putative	0.0026	0.0306	0.5246
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0142	0.2251
Onchocerca volvulus		0.0052	0.0713	0.9939
Brugia malayi	beta-lactamase family protein	0.0042	0.0566	0.1417
Loa Loa (eye worm)	hypothetical protein	0.0179	0.2691	0.6923
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0025	0.0293	0.0275
Mycobacterium ulcerans	putative regulatory protein	0.0238	0.3606	1
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0566	0.1525
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0566	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0566	0.2055
Loa Loa (eye worm)	TATA binding protein associated factor	0.0026	0.0306	0.0743
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0566	1
Echinococcus granulosus	lamin	0.0027	0.0327	0.0571
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0287	0.069
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0858	0.2174
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0142	0.2251
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0026	0.0306	0.5246
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0026	0.0306	0.5246
Leishmania major	cytochrome p450-like protein	0.0014	0.0122	0.1877
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0566	0.1525
Trypanosoma brucei	cytochrome P450, putative	0.0014	0.0122	0.1877
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0191	0.048
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.0238	0.3606	0.8766
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0287	0.0747
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0068	0.0897
Brugia malayi	RNA binding protein	0.0061	0.0858	0.2174
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0319	0.0777
Onchocerca volvulus		0.0024	0.0287	0.3835
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0201	0.0201
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0026	0.0306	0.5246
Brugia malayi	TAR-binding protein	0.0061	0.0858	0.2174
Trypanosoma cruzi	aminopeptidase, putative	0.0026	0.0306	0.5246
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0676	0.1218
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Onchocerca volvulus		0.0027	0.0327	0.4405
Trypanosoma cruzi	aminopeptidase, putative	0.0026	0.0306	0.5246
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0019	0.0038
Trichomonas vaginalis	DNA helicase recq1, putative	0.0028	0.0347	0.5989
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0019	0.0038
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0026	0.0306	0.5246
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0566	0.1368
Echinococcus multilocularis	aminopeptidase N	0.0026	0.0306	0.0532
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0089	0.0181
Loa Loa (eye worm)	CYP4Cod1	0.0014	0.0122	0.0266
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0026	0.0306	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0026	0.0306	0.1111
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0287	0.0747
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0713	0.2591
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0026	0.0306	0.5246
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0068	0.0897
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0007	0.0019	0.0622
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0566	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.3879	1
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0068	0.0127
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0287	0.4899
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0068	0.0897
Schistosoma mansoni	topbp1	0.001	0.0068	0.0247
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0122	0.0266
Toxoplasma gondii	ABC1 family protein	0.0042	0.0566	0.0566
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0287	0.069
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0566	0.0548
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0026	0.0306	0.1111
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0566	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0012	0.0089	0.0129
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0287	0.0747
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0122	0.1877
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0019	0.0038
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.0238	0.3606	0.8766
Brugia malayi	beta-lactamase	0.0042	0.0566	0.1417
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0122	0.0266
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0566	0.1417
Giardia lamblia	Sgs1 DNA helicase, putative	0.0012	0.0089	1
Onchocerca volvulus		0.0042	0.0566	0.7827
Echinococcus granulosus	muscleblind protein	0.0179	0.2691	0.4954
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0068	0.0897
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0012	0.0089	0.0089
Onchocerca volvulus		0.0042	0.0566	0.7827
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0858	0.3117
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0012	0.0089	0.0181
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0566	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0191	0.0446
Schistosoma mansoni	hypothetical protein	0.0183	0.2753	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0102	0.0216
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0858	0.2174
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0287	0.9381
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0068	0.0049
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0019	0.0038
Mycobacterium ulcerans	hypothetical protein	0.0238	0.3606	1
Echinococcus multilocularis	nibrin	0.001	0.0068	0.0091
Loa Loa (eye worm)	aminopeptidase N	0.0026	0.0306	0.0743
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Onchocerca volvulus		0.0052	0.0718	1
Brugia malayi	Peptidase family M1 containing protein	0.0026	0.0306	0.0743
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0068	0.0897
Brugia malayi	hypothetical protein	0.0026	0.0306	0.0743
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0287	0.4899
Brugia malayi	intermediate filament protein	0.0027	0.0327	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0013	0.011	0.0235
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0566	0.1368
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0026	0.0306	0.5246
Toxoplasma gondii	propionate-CoA ligase	0.0007	0.0019	0.0019
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0566	0.1368
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0176	0.0419
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0019	0.0069
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0026	0.0306	0.5246
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0068	0.0897
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0012	0.0089	0.0129
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0068	0.0897
Trichomonas vaginalis	DNA helicase recq, putative	0.0015	0.0142	0.2251
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0026	0.0306	0.5246
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0026	0.0306	0.5246
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0068	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0694
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.0238	0.3606	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0132	0.0293
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Schistosoma mansoni	DNA helicase recq1	0.0012	0.0089	0.0323
Brugia malayi	DKFZp564C0469 protein	0.001	0.0068	0.0127
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.011	0.0169
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0676	0.1218
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.0127
Echinococcus granulosus	aminopeptidase N	0.0026	0.0306	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0191	0.0446
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0019	0.0038
Schistosoma mansoni	lamin	0.0027	0.0327	0.1187
Loa Loa (eye worm)	hypothetical protein	0.001	0.006	0.0106
Onchocerca volvulus		0.0027	0.0327	0.4405
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0026	0.0306	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0306	0.0743
Onchocerca volvulus		0.0026	0.0306	0.4106
Echinococcus multilocularis	geminin	0.0183	0.2753	0.507
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0306	0.0743
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0566	0.1525
Entamoeba histolytica	hypothetical protein	0.001	0.0068	0.2225
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0026	0.0306	0.0743
Echinococcus multilocularis	tumor protein p63	0.0354	0.5413	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0676	0.2455
Schistosoma mansoni	blooms syndrome DNA helicase	0.0022	0.0254	0.0923
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0181
Leishmania major	hypothetical protein, conserved	0.0042	0.0566	1
Echinococcus granulosus	survival motor neuron protein 1	0.0256	0.3879	0.7156
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0858	0.3117
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0718	0.2606
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0694
Brugia malayi	hypothetical protein	0.001	0.0068	0.0127
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0026	0.0306	0.0532
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0676	0.2455
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0191	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0287	0.0747
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0287	0.0694
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0026	0.0306	0.1111
Schistosoma mansoni	DNA helicase recq5	0.0012	0.0089	0.0323
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0019	0.0038
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0858	0.3117
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0191	0.0172
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0012	0.0089	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0566	0.1417
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0019	0.0038
Schistosoma mansoni	lamin	0.0027	0.0327	0.1187
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0858	0.3117
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0068	0.0068
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0012	0.0089	0.0129
Echinococcus granulosus	bloom syndrome protein	0.0028	0.0347	0.0607
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0676	0.1702
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0122	0.0266
Onchocerca volvulus		0.0026	0.0306	0.4106
Echinococcus granulosus	lamin dm0	0.0027	0.0327	0.0571
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0676	0.1218
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0191	0.0456
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0287	0.0694

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Growth inhibition of Escherichia coli DH5alpha (pJN105L + pSC11) at 10 uM after 4 to 16 hrs	ChEMBL.	21798746
Activity (functional)	= 0 %	Agonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL	ChEMBL.	21798746
Activity (functional)	= 0 %	Agonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL	ChEMBL.	21798746
Activity (functional)	= 0 %	Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL	ChEMBL.	21798746
IC50 (functional)	= 0.31 uM	Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by beta-galactosidase reporter gene assay	ChEMBL.	21798746
IC50 (functional)	= 10 uM	Antagonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by beta-galactosidase reporter gene assay	ChEMBL.	21798746
Inhibition (functional)	= -8 %	Antagonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR assessed as inhibition of OdDHL-induced quorum sensing activation at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to untreated control	ChEMBL.	21798746
Inhibition (functional)	= 78 %	Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to untreated control	ChEMBL.	21798746
Inhibition (functional)	= 78 %	Antagonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR assessed as inhibition of OdDHL-induced quorum sensing activation at 10 uM after 8 hrs by beta-galactosidase reporter gene assay relative to untreated control	ChEMBL.	21798746

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.

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External resources for this compound

ChEMBL: CHEMBL1814832

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1078982