TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 470.52 | Formula: C27H26N4O4
H donors: 3 H acceptors: 5 LogP: 4.19 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H](c1ccccc1)NC1=C(C(=O)C1=O)Nc1ccc(c(c1O)C(=O)N(C)C)c1ccccn1
InChi: 1S/C27H26N4O4/c1-4-18(16-10-6-5-7-11-16)29-22-23(26(34)25(22)33)30-20-14-13-17(19-12-8-9-15-28-19)21(24(20)32)27(35)31(2)3/h5-15,18,29-30,32H,4H2,1-3H3/t18-/m1/s1
InChiKey: QDJIUOZZAONOQM-GOSISDBHSA-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
Homo sapiens	chemokine (C-X-C motif) receptor 1	Starlite/ChEMBL	References
Homo sapiens	chemokine (C-X-C motif) receptor 2	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
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0074	0.0074
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Giardia lamblia	Sgs1 DNA helicase, putative	0.0009	0.0116	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0006	0.0031	0.0028
Onchocerca volvulus		0.0007	0.007	0.0685
Echinococcus multilocularis	smad	0.0009	0.0099	0.0069
Loa Loa (eye worm)	TYRA-2 protein	0.0006	0.0031	0.0028
Brugia malayi	GnHR receptor homolog	0.0006	0.0031	0.0028
Schistosoma mansoni	hypothetical protein	0.0438	1	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Schistosoma mansoni	opsin-like receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	TAR-binding protein	0.0145	0.3238	0.4277
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0608	0.0792
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0074	0.0044
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.0116	0.0141
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0115	0.014
Brugia malayi	TAR-binding protein	0.0145	0.3238	0.4277
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	melatonin receptor type 1A	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Schistosoma mansoni	histamine h1 receptor	0.0006	0.0031	0.0031
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0006	0.0031	0.0028
Schistosoma mansoni	DNA helicase recq5	0.0009	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.007	0.0546
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.0044
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0336	0.5
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0425	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0031	0.0031
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Echinococcus multilocularis	cpg binding protein	0.0033	0.0648	0.0619
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Brugia malayi	MH1 domain containing protein	0.0009	0.0099	0.0119
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0608	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.007	0.0546
Schistosoma mansoni	adenoreceptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0099	0.0119
Brugia malayi	glutaminase DH11.1	0.0332	0.7558	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.0081
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0074	0.0044
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0006	0.0031	0.0031
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.007	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0336	0.0433
Brugia malayi	Dopamine receptor protein 1	0.0006	0.0031	0.0028
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0099	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Onchocerca volvulus		0.0031	0.0608	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0116	0.0865
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0484	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0006	0.0031	0.0028
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0314	0.0314
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0312	0.6071
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0319	0.041
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0425	0.0488
Brugia malayi	larval opioid receptor	0.0006	0.0031	0.0028
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0116	0.0141
Brugia malayi	G protein-coupled receptor F59B2.13	0.0006	0.0031	0.0028
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.0116	0.0085
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0009	0.0116	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	cpg binding protein	0.0033	0.0648	0.0648
Schistosoma mansoni	hypothetical protein	0.0006	0.0031	0.0031
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0087
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0099	0.0069
Schistosoma mansoni	Smad4	0.0009	0.0099	0.0099
Schistosoma mansoni	opsin-like receptor	0.0006	0.0031	0.0031
Brugia malayi	ORL1-like opioid receptor	0.0006	0.0031	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0.007	0.0495
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.2847	0.3759
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0006	0.0031	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Loa Loa (eye worm)	RNA binding protein	0.0145	0.3238	0.4277
Schistosoma mansoni	cpg binding protein	0.0033	0.0648	0.0648
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0336	0.9124
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.00000000011962
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	RNA binding protein	0.0145	0.3238	0.4277
Schistosoma mansoni	myosin xvIII	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0484	0.0628
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.007	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Trichomonas vaginalis	glutaminase, putative	0.0332	0.7558	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0336	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.007	0.0081
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0484	0.0552
Schistosoma mansoni	growth hormone secretagogue receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0031	0.0028
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	smad	0.0009	0.0099	0.0099
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.018	1
Schistosoma mansoni	DNA helicase recq1	0.0009	0.0116	0.0116
Schistosoma mansoni	blooms syndrome DNA helicase	0.0005	0.0009	0.0009
Onchocerca volvulus		0.0007	0.007	0.0685
Brugia malayi	Dopamine receptor	0.0006	0.0031	0.0028
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0006	0.0031	0.0028
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0312	0.6071
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.007	0.0546
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0031	0.0031
Toxoplasma gondii	propionate-CoA ligase	0.0007	0.007	0.0495
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.007	0.0546
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0425	0.0396
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Echinococcus granulosus	cpg binding protein	0.0033	0.0648	0.0619
Brugia malayi	MH1 domain containing protein	0.0009	0.0099	0.0119
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0006	0.0031	0.0031
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0484	1
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0006	0.0031	0.0031
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.025	0.1957
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0006	0.0031	0.0028
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0425	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0484	0.0629
Brugia malayi	G-protein coupled receptor	0.0006	0.0031	0.0028
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0006	0.0031	0.0031
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.018	1
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	glutaminase	0.0332	0.7558	0.7558
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0015	0.0255	0.7546
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.007	0.0546
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0031	0.0028
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0425	0.0551
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0336	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0007	0.007	0.1972
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.1242	1
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Onchocerca volvulus		0.0025	0.0484	0.7855
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0116	0.0141
Brugia malayi	G-protein coupled receptor	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.007	0.3576
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.007	0.0015
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0099	0.0099
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0145	0.3238	0.4277
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Loa Loa (eye worm)	oxidoreductase	0.0007	0.007	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	sulfakinin receptor protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0118	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0484	0.0629
Brugia malayi	neuropeptide F receptor	0.0006	0.0031	0.0028
Mycobacterium ulcerans	glutaminase	0.0332	0.7558	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0.007	0.0495
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.007	0.3576
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0484	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0099	0.0069
Brugia malayi	neuropeptide F receptor	0.0006	0.0031	0.0028
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0484	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0099	0.0099
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0006	0.0031	0.0031
Brugia malayi	MH2 domain containing protein	0.0009	0.0099	0.0119
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0484	0.0552
Brugia malayi	putative neuropeptide receptor NPR1	0.0006	0.0031	0.0028
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.007	0.007
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0484	0.0628
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.007	0.004
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0006	0.0031	0.0031
Schistosoma mansoni	neuropeptide f receptor 76f	0.0006	0.0031	0.0031
Brugia malayi	Dopamine receptor protein 2	0.0006	0.0031	0.0028
Brugia malayi	Melatonin receptor type 1A	0.0006	0.0031	0.0028
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0031	0.0031
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0007	0.007	0.1363
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0099	0.0069
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0031	0.0028
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0074	0.0044
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0006	0.0031	0.0031
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.007	0.0081
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0425	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.018	0.3652
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0336	0.0433
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0031	0.0031
Brugia malayi	AKH receptor	0.0006	0.0031	0.0028
Loa Loa (eye worm)	Smad1	0.0009	0.0099	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0484	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.007	0.0546
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Echinococcus multilocularis	tar DNA binding protein	0.0145	0.3238	0.3217
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0484	0.0629
Echinococcus granulosus	smad	0.0009	0.0099	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0336	0.0433
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.007	0.3576
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0484	0.0552
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0059	0.00000000011962
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.3238	0.3238
Loa Loa (eye worm)	glutaminase 2	0.0332	0.7558	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0484	0.0552
Brugia malayi	RE15519p	0.0006	0.0031	0.0028
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.0116	0.0085
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.007	0.3576
Brugia malayi	putative neuropeptide receptor	0.0006	0.0031	0.0028
Brugia malayi	follicle stimulating hormone receptor	0.0006	0.0031	0.0028
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0006	0.0031	0.0028
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.007	0.0546
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	cpg binding protein	0.0031	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1403	0.1403
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.0116	0.0085
Brugia malayi	G protein-coupled receptor	0.0006	0.0031	0.0028
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0031	0.0031
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.007	0.0546
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0484	0.0552
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0006	0.0031	0.0028
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.018	0.0161
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0031	0.0031
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0006	0.0031	0.0031
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0312	0.6071
Echinococcus multilocularis	Smad4	0.0009	0.0099	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0007	0.007	0.0081
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0484	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0484	0.0552
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.0116	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0116	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0116	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.007	0.004
Schistosoma mansoni	opsin-like receptor	0.0006	0.0031	0.0031
Brugia malayi	MH2 domain containing protein	0.0009	0.0099	0.0119
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.018	0.265
Schistosoma mansoni	hypothetical protein	0.0006	0.0031	0.0031
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0.0009	0.5
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.007	0.0546
Onchocerca volvulus		0.0007	0.007	0.0685
Loa Loa (eye worm)	glutaminase	0.0332	0.7558	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0099	0.0099
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0031	0.0031
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0006	0.0031	0.0031
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.007	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	hypothetical protein	0.0006	0.0031	0.0031
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0336	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0484	0.0552
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0336	0.0355
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0099	0.0119
Brugia malayi	Serotonin receptor	0.0006	0.0031	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0031	0.0031
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0006	0.0031	0.0028
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0484	1
Echinococcus granulosus	tar DNA binding protein	0.0145	0.3238	0.3217
Echinococcus granulosus	Smad4	0.0009	0.0099	0.0069
Brugia malayi	Smad1	0.0009	0.0099	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	MH2 domain containing protein	0.0128	0.2847	0.3759
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0059	0.00000000011962
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	amine GPCR	0.0006	0.0031	0.0031
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0336	0.6617
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0484	0.0628
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.2847	0.3759
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Brugia malayi	Serotonin receptor	0.0006	0.0031	0.0028
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0009	0.0088
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Onchocerca volvulus		0.0007	0.007	0.0685
Brugia malayi	hypothetical protein	0.0006	0.0031	0.0028
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.007	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0361	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0484	1
Brugia malayi	RNA recognition motif domain containing protein	0.0145	0.3238	0.4277
Schistosoma mansoni	amine GPCR	0.0006	0.0031	0.0031
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0312	0.6071
Schistosoma mansoni	amine GPCR	0.0006	0.0031	0.0031
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0484	0.0552
Echinococcus multilocularis	dnaJ subfamily B	0.0438	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0028

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 15 nM	Displacement of human [125I]IL-8 from human CXCR2	ChEMBL.	19525110
Ki (binding)	> 1000 nM	Displacement of human [125I]IL-8 from human CXCR1	ChEMBL.	19525110

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: CHEMBL550130

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1039662