TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.409 | Formula: C18H18N2O8S
H donors: 1 H acceptors: 7 LogP: 1.78 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)O
InChi: 1S/C18H18N2O8S/c1-28-15-6-2-13(3-7-15)17(21)12-19(11-10-18(22)23)29(26,27)16-8-4-14(5-9-16)20(24)25/h2-9H,10-12H2,1H3,(H,22,23)
InChiKey: FANOEONTUAWTLY-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	fatty acid synthase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks2	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	Short-chain dehydrogenase/reductase SDR, related	Get druggable targets OG5_126633	All targets in OG5_126633
Onchocerca volvulus		Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	acyl carrier protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Probable polyketide synthase Pks1	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsB	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	Get druggable targets OG5_126633	All targets in OG5_126633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	Soraphen polyketide synthase A, related	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium parvum	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	Get druggable targets OG5_126633	All targets in OG5_126633
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium parvum	type I fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase Pks9	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	KR domain domain-containing protein, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	Get druggable targets OG5_126633	All targets in OG5_126633
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks12	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks4	Get druggable targets OG5_126633	All targets in OG5_126633
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus	Fatty acid synthase homolog	Get druggable targets OG5_126633	All targets in OG5_126633

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.1609	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.3185	0.4267
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.473	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.9633	0.9397
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.001	0.0188	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Brugia malayi	GnHR receptor homolog	0.0037	0.5698	0.2922
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.2515	0.3708
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.2116	0.2574
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.7465	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	fatty acid synthase	0.003	0.4253	0.3824
Brugia malayi	Serotonin receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	melatonin receptor type 1A	0.0037	0.5698	0.5483
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.473	0.6337
Brugia malayi	Melatonin receptor type 1A	0.0037	0.5698	0.2922
Onchocerca volvulus		0.0037	0.5698	0.3234
Brugia malayi	G protein-coupled receptor F59B2.13	0.0037	0.5698	0.2922
Onchocerca volvulus		0.0037	0.5698	0.3234
Brugia malayi	G protein-coupled receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	Serotonin receptor	0.0037	0.5698	0.2922
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.3283	0.4398
Loa Loa (eye worm)	hypothetical protein	0.0051	0.8637	0.8856
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	G-protein coupled receptor	0.0037	0.5698	0.5483
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9633	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	RE15519p	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium ulcerans	polyketide synthase	0.003	0.4337	0.581
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.3102	0.4155
Mycobacterium ulcerans	polyketide synthase Pks9	0.002	0.2195	0.2941
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0037	0.5698	0.2922
Brugia malayi	putative neuropeptide receptor NPR1	0.0037	0.5698	0.2922
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.4337	0.581
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9633	1
Onchocerca volvulus		0.0037	0.5698	0.3234
Onchocerca volvulus		0.0037	0.5698	0.3234
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.7465	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.4337	0.581
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.3102	0.4155
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Onchocerca volvulus		0.0052	0.9021	0.9285
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.3283	0.4398
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.9633	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4337	0.581
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Brugia malayi	G-protein coupled receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.473	0.6337
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	putative neuropeptide receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.3283	0.4398
Mycobacterium ulcerans	polyketide synthase	0.0032	0.473	0.6337
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	TYRA-2 protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.473	0.6337
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.473	0.6337
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.473	0.6337
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.4337	0.581
Loa Loa (eye worm)	hypothetical protein	0.0017	0.1557	0.0729
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0037	0.5698	0.5483
Brugia malayi	Dopamine receptor protein 1	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	G-protein coupled receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	larval opioid receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9633	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	G-protein coupled receptor	0.0037	0.5698	0.5483
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.473	0.6337
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.7465	1
Mycobacterium ulcerans	thioesterase	0.0025	0.3283	0.4398
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	neuropeptide F receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0037	0.5698	0.3234
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.3922	0.3444
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.002	0.2195	0.2941
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Onchocerca volvulus		0.0037	0.5698	0.3234
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.002	0.2195	0.2941
Brugia malayi	ORL1-like opioid receptor	0.0037	0.5698	0.2922
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.7465	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.473	0.6337
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.4337	0.581
Onchocerca volvulus		0.0037	0.5698	0.3234
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.4337	0.581
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4337	0.581
Brugia malayi	Dopamine receptor protein 2	0.0037	0.5698	0.2922
Onchocerca volvulus		0.0037	0.5698	0.3234
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.3102	0.4155
Onchocerca volvulus		0.0037	0.5698	0.3234
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9633	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9633	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0037	0.5698	0.5483
Onchocerca volvulus		0.0037	0.5698	0.3234
Onchocerca volvulus		0.0037	0.5698	0.3234
Onchocerca volvulus		0.0037	0.5698	0.3234
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.4144	0.5551
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0037	0.5698	0.2922
Brugia malayi	follicle stimulating hormone receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	AKH receptor	0.0037	0.5698	0.2922
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.4337	0.581
Loa Loa (eye worm)	neuropeptide F receptor	0.0037	0.5698	0.5483
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0037	0.5698	0.3234
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0012	0.0571	0.0765
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.2556	0.3424
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.4337	0.0684
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.473	0.6337
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0037	0.5698	0.2922
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4337	0.581
Onchocerca volvulus		0.0037	0.5698	0.3234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9633	1
Brugia malayi	Dopamine receptor	0.0037	0.5698	0.2922
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0037	0.5698	0.5483
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.4144	0.5551
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.3922	0.5254
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9633	1
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.9413	1
Brugia malayi	neuropeptide F receptor	0.0037	0.5698	0.2922
Brugia malayi	hypothetical protein	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Brugia malayi	sulfakinin receptor protein	0.0037	0.5698	0.2922
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0037	0.5698	0.5483
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0037	0.5698	0.2922
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5698	0.5483

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	3.51 uM	PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	6.15 uM	PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1515163

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1381430