TDR Targets

Basic information

Technical information

TDR Targets ID: 1389449
Name: N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N- (oxolan-2-ylmethyl)-N'-(1,3-thiazol-2-yl)buta nediamide
MW: 410.531 | Formula: C19H30N4O4S
H donors: 2 H acceptors: 4 LogP: 1.09 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCC(NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)CC1CCCO1)(C)C
InChi: 1S/C19H30N4O4S/c1-4-19(2,3)22-16(25)13-23(12-14-6-5-10-27-14)17(26)8-7-15(24)21-18-20-9-11-28-18/h9,11,14H,4-8,10,12-13H2,1-3H3,(H,22,25)(H,20,21,24)
InChiKey: BIKNUCRVERIYAY-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

N-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-N-(tetrahydrofuran-2-ylmethyl)-N'-thiazol-2-yl-butanediamide
N-[2-(1,1-dimethylpropylamino)-2-oxoethyl]-N-(2-tetrahydrofuranylmethyl)-N'-(2-thiazolyl)butanediamide
N-[2-(tert-amylamino)-2-keto-ethyl]-N-(tetrahydrofurfuryl)-N'-thiazol-2-yl-succinamide
N-[2-(2-methylbutan-2-ylamino)-2-oxo-ethyl]-N-(oxolan-2-ylmethyl)-N'-(1,3-thiazol-2-yl)butanediamide
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-N'-thiazol-2-yl-succinamide
SMR000004608
ASN 05395584
MLS000027522

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089

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
Leishmania major	delta-6 fatty acid desaturase	0.0262	0.1006	0.0011
Schistosoma mansoni	neuropeptide receptor	0.0048	0.0014	0.0053
Brugia malayi	Cytochrome P450 family protein	0.0876	0.3862	0.4389
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0494	0.0562
Schistosoma mansoni	biogenic amine receptor	0.0048	0.0014	0.0053
Schistosoma mansoni	amine GPCR	0.0048	0.0014	0.0053
Brugia malayi	cytochrome P450	0.0259	0.0996	0.112
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0104	0.0118
Schistosoma mansoni	neuropeptide receptor	0.0048	0.0014	0.0053
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0259	0.0996	0.5258
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0259	0.0996	0.9873
Mycobacterium ulcerans	hypothetical protein	0.0262	0.1006	0.5325
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	biogenic amine receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0215	0.0244
Loa Loa (eye worm)	acyl-CoA desaturase	0.1934	0.8783	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Onchocerca volvulus		0.0048	0.0014	0.0014
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0259	0.0996	0.5258
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0261	0.1003	0.3828
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0048	0.0014	0.0014
Schistosoma mansoni	opsin-like receptor	0.0048	0.0014	0.0053
Schistosoma mansoni	neuropeptide receptor	0.0048	0.0014	0.0053
Schistosoma mansoni	opsin-like receptor	0.0048	0.0014	0.0053
Onchocerca volvulus		0.0048	0.0014	0.0014
Mycobacterium leprae	putative cytochrome p450	0.0259	0.0996	1
Schistosoma mansoni	histamine h1 receptor	0.0048	0.0014	0.0053
Leishmania major	delta-4 fatty acid desaturase	0.0261	0.1003	0.0008
Loa Loa (eye worm)	cytochrome P450 family protein	0.0876	0.3862	0.4397
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0048	0.0014	0.0053
Onchocerca volvulus		0.0048	0.0014	0.0014
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0259	0.0996	0.5258
Loa Loa (eye worm)	cytochrome P450	0.0259	0.0996	0.1134
Echinococcus multilocularis	neuropeptide s receptor	0.0604	0.2598	1
Brugia malayi	Cytochrome P450 family protein	0.0411	0.17	0.1923
Mycobacterium leprae	Conserved hypothetical protein	0.0259	0.0996	1
Brugia malayi	Cytochrome P450 family protein	0.0411	0.17	0.1923
Trypanosoma cruzi	cytochrome P450, putative	0.0411	0.17	0.0782
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Schistosoma mansoni	neuropeptide F-like receptor	0.0048	0.0014	0.0053
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0259	0.0996	0.9873
Echinococcus multilocularis		0.0259	0.0996	0.3801
Mycobacterium ulcerans	electron transfer protein FdxB	0.0261	0.1003	0.5306
Leishmania major	delta-12 fatty acid desaturase	0.0261	0.1003	0.0008
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0261	0.1003	0.5306
Loa Loa (eye worm)	fatty acid desaturase	0.0261	0.1003	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0259	0.0996	0.9873
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	hypothetical protein	0.0048	0.0014	0.0053
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Leishmania major	fatty acid desaturase, putative	0.0261	0.1003	0.0008
Onchocerca volvulus		0.0048	0.0014	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0261	0.1003	0.0008
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0048	0.0014	0.0053
Schistosoma mansoni	hypothetical protein	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0259	0.0996	0.5258
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0104	0.0118
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0259	0.0996	0.9873
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0048	0.0014	0.0053
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0259	0.0996	0.991
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0048	0.0014	0.0053
Brugia malayi	Fatty acid desaturase family protein	0.0261	0.1003	0.1128
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0048	0.0014	0.0053
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Echinococcus multilocularis	endothelin converting enzyme 1	0.0091	0.0215	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0178	0.0617	0.0703
Leishmania major	delta-5 fatty acid desaturase	0.0439	0.1831	0.0928
Loa Loa (eye worm)	neuropeptide F receptor	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	myosin xvIII	0.0048	0.0014	0.0053
Trypanosoma brucei	fatty acid desaturase, putative	0.2195	1	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0048	0.0014	0.0053
Brugia malayi	Delta5 fatty acid desaturase	0.0439	0.1831	0.2073
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0261	0.1003	0.0008
Onchocerca volvulus		0.0048	0.0014	0.0014
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0261	0.1003	0.9963
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0259	0.0996	0.5258
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0259	0.0996	0.9873
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0048	0.0014	0.0015
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0259	0.0996	0.5258
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Brugia malayi	Peptidase family M13 containing protein	0.0091	0.0215	0.0229
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0259	0.0996	0.5258
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0048	0.0014	0.0053
Trypanosoma cruzi	fatty acid desaturase, putative	0.0261	0.1003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0259	0.0996	0.9873
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0259	0.0996	0.5258
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0048	0.0014	0.0053
Onchocerca volvulus		0.0048	0.0014	0.0014
Schistosoma mansoni	opsin-like receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0259	0.0996	0.9873
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Schistosoma mansoni	hypothetical protein	0.0259	0.0996	0.542
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0261	0.1003	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0259	0.0996	0.9873
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Onchocerca volvulus		0.0048	0.0014	0.0014
Brugia malayi	Angiotensin-converting enzyme family protein	0.0601	0.2583	0.293
Plasmodium falciparum	stearoyl-CoA desaturase	0.1934	0.8783	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0215	0.0244
Schistosoma mansoni	growth hormone secretagogue receptor	0.0048	0.0014	0.0053
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0261	0.1003	0.3828
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0215	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	fatty acid desaturase	0.044	0.1834	1
Onchocerca volvulus		0.0048	0.0014	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0259	0.0996	0.9873
Loa Loa (eye worm)	FAT-3 protein	0.0439	0.1831	0.2085
Onchocerca volvulus		0.0048	0.0014	0.0014
Loa Loa (eye worm)	G-protein coupled receptor	0.0048	0.0014	0.0015
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0261	0.1003	0.5306
Schistosoma mansoni	amine GPCR	0.0048	0.0014	0.0053
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0048	0.0014	0.0053
Schistosoma mansoni	cytochrome P450	0.0259	0.0996	0.542
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0411	0.17	1
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0261	0.1003	0.5306
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0259	0.0996	0.5258
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0104	0.0118
Schistosoma mansoni	biogenic amine receptor	0.0048	0.0014	0.0053
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0259	0.0996	0.5258
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0259	0.0996	0.9873
Onchocerca volvulus		0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0104	0.0118
Leishmania major	fatty acid desaturase, putative	0.0261	0.1003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Onchocerca volvulus		0.0048	0.0014	0.0014
Onchocerca volvulus		0.0048	0.0014	0.0014
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0104	0.0118
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0259	0.0996	0.9873
Schistosoma mansoni	amine GPCR	0.0048	0.0014	0.0053
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0259	0.0996	0.9873
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0259	0.0996	0.5258
Onchocerca volvulus		0.0048	0.0014	0.0014
Onchocerca volvulus		0.0048	0.0014	0.0014
Echinococcus granulosus	endothelin converting enzyme 1	0.0091	0.0215	0.0778
Echinococcus multilocularis	neuropeptide receptor A26	0.0604	0.2598	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0104	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Onchocerca volvulus		0.0048	0.0014	0.0014
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0048	0.0014	0.0015
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0091	0.0215	0.0229
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Brugia malayi	follicle stimulating hormone receptor	0.0326	0.1306	0.1473
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0259	0.0996	0.9873
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0259	0.0996	0.9873
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0048	0.0014	0.0053
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0259	0.0996	0.5258
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0259	0.0996	0.9873
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0262	0.1006	0.0011
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Brugia malayi	Fatty acid desaturase family protein	0.0261	0.1003	0.1128
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0261	0.1003	0.3828
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0259	0.0996	0.9873
Loa Loa (eye worm)	CYP4Cod1	0.0411	0.17	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0261	0.1003	0.5306
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0048	0.0014	0.0015
Loa Loa (eye worm)	melatonin receptor type 1A	0.0048	0.0014	0.0015
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0048	0.0014	0.0014
Trypanosoma cruzi	fatty acid desaturase, putative	0.1934	0.8786	0.8652
Echinococcus granulosus	neuropeptide s receptor	0.0604	0.2598	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0261	0.1003	0.0008
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0261	0.1003	0.9963
Brugia malayi	Cytochrome P450 family protein	0.0259	0.0996	0.112
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Trypanosoma cruzi	fatty acid desaturase, putative	0.1934	0.8786	0.8652
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0262	0.1006	1
Onchocerca volvulus		0.044	0.1834	0.1835
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0111	0.0126
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0262	0.1006	0.0011
Loa Loa (eye worm)	fatty acid desaturase	0.0261	0.1003	0.1142
Echinococcus granulosus	Fatty acid desaturase type 1	0.0261	0.1003	0.3828
Mycobacterium ulcerans	hypothetical protein	0.0261	0.1003	0.5306
Schistosoma mansoni	hypothetical protein	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0601	0.2583	0.2941
Schistosoma mansoni	neuropeptide F-like receptor	0.0048	0.0014	0.0053
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0261	0.1003	0.0008
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0259	0.0996	0.5258
Loa Loa (eye worm)	cytochrome P450 family protein	0.0411	0.17	0.1936
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Trypanosoma brucei	cytochrome P450, putative	0.0411	0.17	0.0782
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0259	0.0996	0.9873
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Echinococcus granulosus	neuropeptide receptor A26	0.0604	0.2598	1
Schistosoma mansoni	amine GPCR	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.1934	0.8783	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0259	0.0996	0.9873
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0091	0.0215	0.1152
Schistosoma mansoni	adenoreceptor	0.0048	0.0014	0.0053
Onchocerca volvulus		0.0048	0.0014	0.0014
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0261	0.1003	0.0008
Loa Loa (eye worm)	TYRA-2 protein	0.0048	0.0014	0.0015
Onchocerca volvulus		0.2194	0.9997	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0048	0.0014	0.0053
Brugia malayi	acyl-CoA desaturase	0.1934	0.8783	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.2195	1	1
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0261	0.1003	0.3828
Leishmania major	fatty-acid desaturase, putative	0.2195	1	1
Leishmania major	cytochrome p450-like protein	0.0411	0.17	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0439	0.1831	0.2085
Loa Loa (eye worm)	cytochrome P450 family protein	0.0411	0.17	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0259	0.0996	0.9873
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0326	0.1306	0.1487
Onchocerca volvulus		0.2194	0.9997	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0261	0.1003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0048	0.0014	0.0053
Trypanosoma cruzi	cytochrome P450, putative	0.0411	0.17	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0259	0.0996	0.9873
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Echinococcus granulosus	cytochrome P450 2K1	0.0259	0.0996	0.3801
Schistosoma mansoni	neuropeptide f receptor 76f	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Schistosoma mansoni	amine GPCR	0.0048	0.0014	0.0053
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0259	0.0996	0.5258
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0259	0.0996	0.5258
Schistosoma mansoni	hypothetical protein	0.0048	0.0014	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	neuropeptide F receptor	0.0048	0.0014	0.0015
Schistosoma mansoni	neuropeptide receptor	0.0048	0.0014	0.0053
Onchocerca volvulus		0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0015
Loa Loa (eye worm)	G-protein coupled receptor	0.0048	0.0014	0.0015

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1651 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

Annotated phenotypes:

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

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

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External resources for this compound

ChEMBL: CHEMBL1525272

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1389449