TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.261 | Formula: C18H20BrNO2
H donors: 0 H acceptors: 0 LogP: 4.64 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)Oc1ccc(cc1)OCCN1CCCC1
InChi: 1S/C18H20BrNO2/c19-15-3-5-17(6-4-15)22-18-9-7-16(8-10-18)21-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2
InChiKey: HFGGOKLWANRQQD-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	leukotriene A4 hydrolase	Starlite/ChEMBL	References
Homo sapiens	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01254 leukotriene-A4 hydrolase [EC3.3.2.6], putative	Get druggable targets OG5_129538	All targets in OG5_129538
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	Get druggable targets OG5_129538	All targets in OG5_129538
Echinococcus multilocularis	leukotriene A 4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538
Echinococcus granulosus	leukotriene A 4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538
Loa Loa (eye worm)	leukotriene A4 hydrolase	Get druggable targets OG5_129538	All targets in OG5_129538
Candida albicans	leukotriene A4 hydrolase/leucyl aminopeptidase	Get druggable targets OG5_129538	All targets in OG5_129538
Candida albicans	leukotriene A4 hydrolase/leucyl aminopeptidase	Get druggable targets OG5_129538	All targets in OG5_129538

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	leukotriene A4 hydrolase	611 aa	508 aa	22.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0098	0.1978
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Brugia malayi	Pre-SET motif family protein	0.0243	0.2964	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0439	0.134
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0098	0.1978
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0279	0.3409	0.3399
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0358	0.0344
Toxoplasma gondii	aminopeptidase n, putative	0.0015	0.0098	0.1183
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0259	0.5766
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0015	0.0098	0.1978
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0015	0.0098	0.1978
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0171	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0439	0.1439
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Onchocerca volvulus		0.0277	0.3384	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0171	0.3703
Onchocerca volvulus		0.0015	0.0098	0.0249
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0358	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0171	0.0463
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0259	0.5766
Echinococcus multilocularis	notch	0.001	0.0041	0.0027
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0033	0.0019
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.031	0.0873
Brugia malayi	hypothetical protein	0.0032	0.031	0.1004
Echinococcus granulosus	peroxidasin	0.0032	0.031	0.0297
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Schistosoma mansoni	cpg binding protein	0.0035	0.0356	0.0342
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0439	0.1277
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Schistosoma mansoni	cpg binding protein	0.0035	0.0356	0.0342
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.031	0.1004
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Onchocerca volvulus	Peroxidasin homolog	0.0032	0.031	0.0879
Onchocerca volvulus		0.0032	0.031	0.0879
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0031	0.0051
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0439	0.1277
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0439	0.1439
Onchocerca volvulus	Chorion peroxidase homolog	0.0032	0.031	0.0879
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0439	0.0425
Onchocerca volvulus		0.001	0.0041	0.008
Schistosoma mansoni	smad	0.0009	0.0031	0.0017
Echinococcus granulosus	delta-like protein 1	0.001	0.0041	0.0027
Onchocerca volvulus		0.0036	0.0358	0.102
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Echinococcus granulosus	neurogenic locus notch protein	0.001	0.0041	0.0027
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0259	0.5766
Loa Loa (eye worm)	aminopeptidase N	0.0015	0.0098	0.0247
Schistosoma mansoni	hypothetical protein	0.0477	0.5892	0.5886
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0098	0.0268
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0439	0.134
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0014	0.0043
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0098	0.0268
Onchocerca volvulus		0.0015	0.0098	0.0249
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0015	0.0098	0.0268
Entamoeba histolytica	aminopeptidase, putative	0.0015	0.0098	0.343
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0171	0.0463
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Onchocerca volvulus	Dual oxidase homolog	0.0032	0.031	0.0879
Trichomonas vaginalis	esterase, putative	0.0042	0.0439	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0098	0.0247
Toxoplasma gondii	aminopeptidase N, putative	0.0015	0.0098	0.1183
Brugia malayi	Delta serrate ligand family protein	0.001	0.0041	0.0091
Loa Loa (eye worm)	Notch2	0.001	0.0041	0.0079
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0439	0.0425
Echinococcus multilocularis	protein jagged 1	0.001	0.0041	0.0027
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0098	0.0285
Echinococcus granulosus	aminopeptidase N	0.0015	0.0098	0.0084
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0259	0.083
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0358	0.4844
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0439	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0014	0.0043
Schistosoma mansoni	cell polarity protein	0.001	0.0041	0.0027
Schistosoma mansoni	peroxidasin	0.0032	0.031	0.0297
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0015	0.0098	0.0247
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Schistosoma mansoni	septate junction protein	0.001	0.0041	0.0027
Mycobacterium ulcerans	aminopeptidase N PepN	0.0015	0.0098	0.1978
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0031	0.0051
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0259	0.5766
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0439	1
Brugia malayi	Peroxidasin	0.0032	0.031	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0015	0.0098	0.1978
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0065	0.0724	1
Echinococcus granulosus	fibropellin Ia	0.001	0.0041	0.0027
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0014	0.002
Echinococcus multilocularis	fat cadherin tumor suppressor	0.001	0.0041	0.0027
Echinococcus granulosus	notch	0.001	0.0041	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0098	0.1978
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Schistosoma mansoni	microtubule-associated protein tau	0.0805	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus multilocularis	neurogenic locus notch protein 4	0.001	0.0041	0.0027
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0072	0.0819	0.0806
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0259	1
Brugia malayi	Calcium binding EGF domain containing protein	0.001	0.0041	0.0091
Onchocerca volvulus		0.0032	0.031	0.0879
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0015	0.0098	0.5342
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.001	0.0033	0.0019
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0259	0.5766
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0098	0.0285
Echinococcus granulosus	neurogenic locus protein delta	0.001	0.0041	0.0027
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0171	0.3703
Brugia malayi	Cadherin domain containing protein	0.001	0.0041	0.0091
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0439	0.134
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0259	0.5766
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0439	1
Onchocerca volvulus		0.001	0.0041	0.008
Toxoplasma gondii	ABC1 family protein	0.0042	0.0439	0.5982
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0279	0.3409	0.3399
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0157	0.048
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Onchocerca volvulus	Slit protein homolog	0.001	0.0041	0.008
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0014	0.0043
Onchocerca volvulus		0.0028	0.0259	0.0726
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0014	0.002
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0259	0.5766
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.1658	0.4842
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0015	0.0098	0.1978
Brugia malayi	MH2 domain containing protein	0.0009	0.0031	0.0058
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0439	0.134
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0015	0.0098	0.0084
Brugia malayi	MH1 domain containing protein	0.0009	0.0031	0.0058
Echinococcus multilocularis	neurogenic locus protein delta	0.001	0.0041	0.0027
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.031	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0157	0.048
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0031	0.0017
Brugia malayi	beta-lactamase	0.0042	0.0439	0.1439
Onchocerca volvulus		0.001	0.0041	0.008
Echinococcus granulosus	Smad4	0.0009	0.0031	0.0017
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0015	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0358	0.0344
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0279	0.3409	0.3399
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0015	0.0098	0.1978
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus multilocularis	fibropellin Ia	0.001	0.0041	0.0027
Echinococcus granulosus	cpg binding protein	0.0035	0.0356	0.0342
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0171	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0012	0.0058	0.013
Loa Loa (eye worm)	notch protein	0.001	0.0041	0.0079
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0332	0.1078
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Echinococcus multilocularis	dnaJ subfamily B	0.0477	0.5892	0.5886
Echinococcus multilocularis	protein jagged 2	0.001	0.0041	0.0027
Echinococcus multilocularis	cpg binding protein	0.0035	0.0356	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0439	0.0425
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.031	0.0873
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0033	0.0019
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.031	0.0873
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0439	0.134
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0014	0.0043
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0439	0.134
Echinococcus granulosus	slit 2 protein	0.001	0.0041	0.0027
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.001	0.0041	0.008
Echinococcus multilocularis	slit 2 protein	0.001	0.0041	0.0027
Brugia malayi	Calcium binding EGF domain containing protein	0.001	0.0041	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0171	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0098	0.0247
Echinococcus multilocularis	neurogenic locus notch protein	0.001	0.0041	0.0027
Onchocerca volvulus		0.0042	0.0439	0.126
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0098	0.0247
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0358	0.0344
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0259	0.0791
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0333	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0259	0.0791
Trypanosoma brucei	Aminopeptidase M1, putative	0.0015	0.0098	0.1978
Schistosoma mansoni	laminin gamma-3 chain	0.001	0.0041	0.0027
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0014	0.0043
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0439	0.134
Echinococcus multilocularis	neural cadherin	0.001	0.0041	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0259	0.0721
Onchocerca volvulus		0.0042	0.0439	0.126
Toxoplasma gondii	aminopeptidase N protein	0.0015	0.0098	0.1183
Schistosoma mansoni	peroxidasin	0.0032	0.031	0.0297
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0259	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0031	0.0017
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0439	0.134
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0031	0.0017
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0332	0.0937
Echinococcus multilocularis	protein jagged 1	0.001	0.0041	0.0027
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0015	0.0098	0.1978
Brugia malayi	beta-lactamase family protein	0.0042	0.0439	0.1439
Brugia malayi	Smad1	0.0009	0.0031	0.0058
Onchocerca volvulus		0.0032	0.031	0.0879
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Brugia malayi	hypothetical protein	0.0015	0.0098	0.0285
Brugia malayi	hypothetical protein	0.0015	0.0098	0.0285
Brugia malayi	MH1 domain containing protein	0.0009	0.0031	0.0058
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0439	0.134
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0031	0.0017
Brugia malayi	Calcium binding EGF domain containing protein	0.001	0.0041	0.0091
Onchocerca volvulus	Putative cubilin	0.001	0.0041	0.008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0157	0.048
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0439	1
Toxoplasma gondii	EGF family domain-containing protein	0.001	0.0041	0.0378
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0259	0.083
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0015	0.0098	0.1978
Brugia malayi	hypothetical protein	0.0128	0.152	0.5104
Echinococcus granulosus	dnaJ subfamily B	0.0477	0.5892	0.5886
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0439	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.3275	1
Trypanosoma brucei	aminopeptidase, putative	0.0015	0.0098	0.1978
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0171	0.0463
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus multilocularis	smad	0.0009	0.0031	0.0017
Onchocerca volvulus	Peroxidase homolog	0.0032	0.031	0.0879
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0031	0.0017
Mycobacterium ulcerans	lipase LipD	0.0042	0.0439	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0358	0.1013
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0171	0.0523
Echinococcus granulosus	neurogenic locus notch protein 4	0.001	0.0041	0.0027
Echinococcus multilocularis	neurogenic locus protein delta	0.001	0.0041	0.0027
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0439	1
Brugia malayi	MH2 domain containing protein	0.0139	0.1658	0.5571
Brugia malayi	notch-like transmembrane receptor	0.001	0.0041	0.0091
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0157	0.048
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.001	0.0041	0.0091
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Echinococcus granulosus	smad	0.0009	0.0031	0.0017
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0358	0.0344
Onchocerca volvulus		0.0033	0.0332	0.0944
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Loa Loa (eye worm)	blistered cuticle protein 3	0.0032	0.031	0.0873
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0012	0.0058	0.0044
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0259	0.5766
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0259	0.5766
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0439	0.1277
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0015	0.0098	0.0084
Echinococcus multilocularis	Smad4	0.0009	0.0031	0.0017
Brugia malayi	F/Y-rich N-terminus family protein	0.0012	0.0057	0.0144
Echinococcus granulosus	neurogenic locus notch protein	0.001	0.0041	0.0027
Onchocerca volvulus	Peroxidase homolog	0.0032	0.031	0.0879
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0259	0.5766
Trypanosoma brucei	Aminopeptidase M1, putative	0.0015	0.0098	0.1978
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Onchocerca volvulus	Neurogenic locus notch homolog	0.001	0.0041	0.008
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0171	0.0463
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0015	0.0098	0.5342
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0439	0.1277
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Echinococcus granulosus	protein jagged 1	0.001	0.0041	0.0027
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Loa Loa (eye worm)	animal heme peroxidase	0.0032	0.031	0.0873
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0439	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0015	0.0098	0.0084
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0031	0.0017
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0014	0.0043
Echinococcus multilocularis	peroxidasin	0.0032	0.031	0.0297
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0439	1
Echinococcus multilocularis	aminopeptidase N	0.0015	0.0098	0.0084
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.031	0.1004
Echinococcus granulosus	protein jagged 1	0.001	0.0041	0.0027
Echinococcus multilocularis	microtubule associated protein 2	0.0805	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0439	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Onchocerca volvulus		0.0015	0.0098	0.0249
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0014	0.0043
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0014	0.0043
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0014	0.0043
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.1658	0.4842
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.001	0.0041	0.0027
Schistosoma mansoni	Smad4	0.0009	0.0031	0.0017
Brugia malayi	Pre-SET motif family protein	0.0036	0.0358	0.1165
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Brugia malayi	TATA binding protein associated factor	0.0015	0.0098	0.0285
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0259	0.5766
Trypanosoma cruzi	aminopeptidase, putative	0.0015	0.0098	0.1978
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0439	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0259	1
Schistosoma mansoni	notch	0.001	0.0041	0.0027
Brugia malayi	Muscle positioning protein 4	0.001	0.0041	0.0091
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Echinococcus granulosus	neural cadherin	0.001	0.0041	0.0027
Mycobacterium ulcerans	aminopeptidase N PepN	0.0015	0.0098	0.1978
Brugia malayi	MH2 domain containing protein	0.0009	0.0031	0.0058
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0439	0.134
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0031	0.0017
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0012	0.0058	0.0044
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0358	0.0344
Schistosoma mansoni	hypothetical protein	0.001	0.0041	0.0027
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0439	0.1277
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Echinococcus granulosus	mixed lineage leukemia protein mll	0.001	0.0033	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0439	0.1251
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.031	0.1004
Giardia lamblia	High cysteine protein	0.001	0.0041	0.5
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0015	0.0098	0.1978
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.2964	0.869
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0259	0.083
Onchocerca volvulus		0.001	0.0041	0.008
Brugia malayi	GCC2 and GCC3 family protein	0.001	0.0041	0.0091
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.3384	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0439	0.0425
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0015	0.0098	0.1978
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0439	0.1251
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0439	0.1251
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0014	0.0043
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0014	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0358	0.0344
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Echinococcus multilocularis	neurogenic locus notch protein	0.001	0.0041	0.0027
Onchocerca volvulus		0.001	0.0041	0.008
Echinococcus granulosus	protein jagged 2	0.001	0.0041	0.0027
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0015	0.0098	0.1978
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0259	0.5766
Brugia malayi	Peptidase family M1 containing protein	0.0015	0.0098	0.0285
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.001	0.0033	0.0019
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0259	0.5766
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0259	0.0721
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Loa Loa (eye worm)	Smad1	0.0009	0.0031	0.0051
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0279	0.3409	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0041	0.0079
Trypanosoma cruzi	aminopeptidase, putative	0.0015	0.0098	0.1978
Schistosoma mansoni	slit	0.001	0.0041	0.0027
Brugia malayi	Animal haem peroxidase family protein	0.0032	0.031	0.1004
Schistosoma mansoni	cpg binding protein	0.0033	0.0332	0.0319
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0031	0.0017
Brugia malayi	Cadherin domain containing protein	0.001	0.0041	0.0091
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0015	0.0098	0.0084
Onchocerca volvulus	Peroxidasin homolog	0.0032	0.031	0.0879
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Echinococcus granulosus	protein jagged 2	0.001	0.0041	0.0027
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0015	0.0098	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0032	0.031	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0259	0.0721
Leishmania major	hypothetical protein, conserved	0.0042	0.0439	1
Loa Loa (eye worm)	TATA binding protein associated factor	0.0015	0.0098	0.0247
Onchocerca volvulus		0.0042	0.0439	0.126
Brugia malayi	EGF-like domain containing protein	0.001	0.0041	0.0091
Plasmodium vivax	SET domain protein, putative	0.0036	0.0358	0.8098
Brugia malayi	Blistered cuticle protein 3	0.0032	0.031	0.1004

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.11 uM	Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA	ChEMBL.	21542630
IC50 (binding)	= 0.29 uM	Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 0.5 hrs by ELISA	ChEMBL.	21542630
IC50 (binding)	= 5.1 uM	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA	ChEMBL.	21542630
IC50 (binding)	> 100 uM	Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay	ChEMBL.	21542630
IC50 (binding)	> 100 uM	Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay	ChEMBL.	21542630

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1775104

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1557142