TDR Targets

Basic information

Technical information

TDR Targets ID: 1430988
Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4- oxo-3-prop-2-enylquinazoline-7-carboxylic aci d
MW: 449.293 | Formula: C19H14BrFN2O3S
H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(SCc2ccc(cc2F)Br)nc2c(c1=O)ccc(c2)C(=O)O
InChi: 1S/C19H14BrFN2O3S/c1-2-7-23-17(24)14-6-4-11(18(25)26)8-16(14)22-19(23)27-10-12-3-5-13(20)9-15(12)21/h2-6,8-9H,1,7,10H2,(H,25,26)
InChiKey: YQRAVRPYKSGYFO-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

3-allyl-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid
3-allyl-2-[(4-bromo-2-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid
3-allyl-2-[(4-bromo-2-fluoro-benzyl)thio]-4-keto-quinazoline-7-carboxylic acid
2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-3-prop-2-enyl-quinazoline-7-carboxylic acid
T5383030

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
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
Cryptosporidium hominis	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	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
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)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase	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
Neospora caninum	KR domain domain-containing protein, putative	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 leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	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	Probable membrane bound polyketide synthase Pks6	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
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, putative	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
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	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
Onchocerca volvulus	Fatty acid synthase homolog	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 leprae	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
Loa Loa (eye worm)	hypothetical protein	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
Cryptosporidium parvum	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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks4	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
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 PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks13	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 ulcerans	polyketide synthase Pks13	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	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 ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	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	AMP-binding enzyme domain-containing protein	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
Mycobacterium ulcerans	Type I modular polyketide synthase	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
Loa Loa (eye worm)	acyl carrier protein	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
Cryptosporidium parvum	polyketide synthase	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
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	Probable polyketide synthase Pks9	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
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
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 PpsB	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 ulcerans	polyketide synthase Pks9	Get druggable targets OG5_126633	All targets in OG5_126633
Onchocerca volvulus		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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9022	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Echinococcus multilocularis	g-protein coupled receptor	0.002	0.2087	0.0274
Schistosoma mansoni	amine GPCR	0.002	0.2087	0.0274
Brugia malayi	larval opioid receptor	0.002	0.2087	0.0241
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.002	0.2087	0.0274
Loa Loa (eye worm)	TYRA-2 protein	0.002	0.2087	0.134
Schistosoma mansoni	myosin xvIII	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.3673	0.5254
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.002	0.2087	0.0274
Echinococcus multilocularis	neuropeptide receptor	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.3881	0.5551
Brugia malayi	follicle stimulating hormone receptor	0.002	0.2087	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.443	0.6337
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Echinococcus granulosus	neuropeptide Y receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	G-protein coupled receptor, putative	0.002	0.2087	0.0274
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine receptor	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.3881	0.5551
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.443	0.6337
Echinococcus granulosus	tachykinin peptides receptor 99D	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.002	0.2087	0.0274
Brugia malayi	Serotonin receptor	0.002	0.2087	0.0241
Brugia malayi	Dopamine receptor	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	dro:myosuppressin receptor	0.002	0.2087	0.0274
Echinococcus granulosus	neuropeptide receptor	0.002	0.2087	0.0274
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.443	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.3075	0.4398
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.2394	0.3424
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.6992	1
Schistosoma mansoni	neuropeptide receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	G protein-coupled receptor F59B2.13	0.002	0.2087	0.0241
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.443	0.6337
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9022	1
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.001	0.0176	0.0251
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Echinococcus granulosus	g-protein coupled receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4062	0.581
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.1507	0.2155
Echinococcus granulosus	peptide allatostatin:somatostatin	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	0.2087	0.0274
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0041	0.6247	0.5893
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.9022	0.893
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.443	0.6337
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.3075	0.4398
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.002	0.2087	0.0241
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	RE15519p	0.002	0.2087	0.0241
Mycobacterium ulcerans	polyketide synthase	0.0032	0.443	0.6337
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.9022	1
Echinococcus granulosus	somatostatin receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.002	0.2087	0.134
Schistosoma mansoni	biogenic amine receptor	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	0.2087	0.0274
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.9022	1
Echinococcus multilocularis	fmrfamide receptor	0.002	0.2087	0.0274
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.8816	1
Schistosoma mansoni	hypothetical protein	0.002	0.2087	0.0274
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Echinococcus multilocularis	serotonin receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	neuropeptide Y receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.002	0.2087	0.0241
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.2087	0.0274
Echinococcus granulosus	orexin receptor type 2	0.002	0.2087	0.0274
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Echinococcus granulosus	neuropeptide receptor A26	0.002	0.2087	0.0274
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.6992	1
Echinococcus granulosus	allatostatin A receptor	0.002	0.2087	0.0274
Schistosoma mansoni	hypothetical protein	0.002	0.2087	0.0274
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.443	0.6337
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.002	0.2087	0.134
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.6247	0.5371
Loa Loa (eye worm)	G-protein coupled receptor	0.002	0.2087	0.134
Brugia malayi	putative neuropeptide receptor	0.002	0.2087	0.0241
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.6992	1
Schistosoma mansoni	amine GPCR	0.002	0.2087	0.0274
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	neuropeptide s receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	polyketide synthase Pks9	0.002	0.2056	0.2941
Loa Loa (eye worm)	G-protein coupled receptor	0.002	0.2087	0.134
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9022	1
Echinococcus multilocularis	g protein coupled receptor	0.002	0.2087	0.0274
Brugia malayi	putative neuropeptide receptor NPR1	0.002	0.2087	0.0241
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	melatonin receptor type 1A	0.002	0.2087	0.134
Echinococcus granulosus	7tm_1 domain containing protein	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.002	0.2087	0.0274
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	AKH receptor	0.002	0.2087	0.0241
Echinococcus multilocularis	neuropeptide s receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	hypothetical protein	0.0041	0.6247	0.6108
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	neuropeptides capa receptor	0.002	0.2087	0.0274
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.4062	0.581
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.002	0.2087	0.0274
Schistosoma mansoni	amine GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9022	1
Echinococcus granulosus	dro:myosuppressin receptor	0.002	0.2087	0.0274
Schistosoma mansoni	hypothetical protein	0.002	0.2087	0.0274
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.9022	0.8794
Brugia malayi	G-protein coupled receptor	0.002	0.2087	0.0241
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.2983	0.4267
Onchocerca volvulus		0.0052	0.8448	0.9453
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.2905	0.4155
Schistosoma mansoni	biogenic amine receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.002	0.2087	0.0274
Brugia malayi	Dopamine receptor protein 2	0.002	0.2087	0.0241
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.4062	0.581
Schistosoma mansoni	opsin-like receptor	0.002	0.2087	0.0274
Brugia malayi	GnHR receptor homolog	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.443	0.6337
Brugia malayi	neuropeptide F receptor	0.002	0.2087	0.0241
Brugia malayi	Dopamine receptor protein 1	0.002	0.2087	0.0241
Echinococcus granulosus	alpha 1A adrenergic receptor	0.002	0.2087	0.0274
Brugia malayi	G-protein coupled receptor	0.002	0.2087	0.0241
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.3673	0.2197
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	g protein coupled receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Echinococcus granulosus	7TM GPCR rhodopsin	0.002	0.2087	0.0274
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.002	0.2056	0.2941
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.4062	0.581
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1892	0.1126
Echinococcus granulosus	neuropeptides capa receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	G protein coupled receptor 139	0.002	0.2087	0.0274
Echinococcus multilocularis	neuropeptide Y receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.002	0.2087	0.134
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide receptor	0.002	0.2087	0.0274
Schistosoma mansoni	opsin-like receptor	0.002	0.2087	0.0274
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.9022	1
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0012	0.0535	0.0765
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.002	0.2087	0.0274
Brugia malayi	sulfakinin receptor protein	0.002	0.2087	0.0241
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.2087	0.0274
Echinococcus granulosus	sex peptide receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	neuropeptide F receptor	0.002	0.2087	0.134
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4062	0.581
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.4062	0.581
Echinococcus granulosus	g protein coupled receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	serotonin receptor	0.002	0.2087	0.0274
Schistosoma mansoni	growth hormone secretagogue receptor	0.002	0.2087	0.0274
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.002	0.2087	0.0241
Schistosoma mansoni	alpha-1 adrenergic receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0017	0.1458	0.0651
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.002	0.2087	0.0274
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.002	0.2087	0.0274
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide F-like receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	G protein coupled receptor 139	0.002	0.2087	0.0274
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.1892	0.1126
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	amine GPCR	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.4062	0.581
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.4062	0.581
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.1982	0.2574
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.9366	0.9218
Echinococcus granulosus	hypothetical protein	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Mycobacterium ulcerans	thioesterase	0.0025	0.3075	0.4398
Brugia malayi	Tachykinin-like peptides receptor 99D	0.002	0.2087	0.0241
Echinococcus multilocularis	fmrfamide receptor	0.002	0.2087	0.0274
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.002	0.2087	0.134
Brugia malayi	G protein-coupled receptor	0.002	0.2087	0.0241
Loa Loa (eye worm)	fatty acid synthase	0.003	0.3983	0.3415
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Brugia malayi	Melatonin receptor type 1A	0.002	0.2087	0.0241
Echinococcus granulosus	g protein coupled receptor	0.002	0.2087	0.0274
Echinococcus granulosus	tm gpcr rhodopsin	0.002	0.2087	0.0274
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.4062	0.581
Loa Loa (eye worm)	hypothetical protein	0.0051	0.8089	0.7909
Echinococcus granulosus	neuropeptide FF receptor 2	0.002	0.2087	0.0274
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Echinococcus multilocularis	orexin receptor type 2	0.002	0.2087	0.0274
Onchocerca volvulus		0.0028	0.3673	0.2357
Schistosoma mansoni	histamine h1 receptor	0.002	0.2087	0.0274
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.3075	0.4398
Echinococcus multilocularis	neuropeptide receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	neuropeptide receptor A26	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.2087	0.0274
Schistosoma mansoni	hypothetical protein	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.2087	0.0274
Echinococcus granulosus	neuropeptides capa receptor	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine (5HT) receptor	0.002	0.2087	0.0274
Echinococcus granulosus	fmrfamide receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.002	0.2087	0.0274
Schistosoma mansoni	opsin-like receptor	0.002	0.2087	0.0274
Echinococcus granulosus	serotonin receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.002	0.2056	0.2941
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	neuropeptides capa receptor	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.443	0.6337
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.002	0.2087	0.0274
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.2905	0.4155
Brugia malayi	hypothetical protein	0.002	0.2087	0.0241
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.3673	0.3076
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide f receptor 76f	0.002	0.2087	0.0274
Echinococcus multilocularis	g protein coupled receptor	0.002	0.2087	0.0274
Schistosoma mansoni	neuropeptide F-like receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.002	0.2087	0.0274
Schistosoma mansoni	amine GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.002	0.2087	0.0274
Echinococcus granulosus	neuropeptide receptor	0.002	0.2087	0.0274
Echinococcus granulosus	biogenic amine 5HT receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	polyketide synthase	0.003	0.4062	0.581
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Brugia malayi	Serotonin receptor	0.002	0.2087	0.0241
Brugia malayi	ORL1-like opioid receptor	0.002	0.2087	0.0241
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	sex peptide receptor	0.002	0.2087	0.0274
Echinococcus granulosus	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.002	0.2087	0.0274
Loa Loa (eye worm)	neuropeptide F receptor	0.002	0.2087	0.134
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.443	0.6337
Schistosoma mansoni	adenoreceptor	0.002	0.2087	0.0274
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.6992	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2087	0.134
Echinococcus multilocularis	rhodopsin orphan GPCR	0.002	0.2087	0.0274
Echinococcus multilocularis	neuropeptide Y receptor	0.002	0.2087	0.0274
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.002	0.2087	0.0274
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.2905	0.4155
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.002	0.2087	0.0274
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.002	0.2087	0.0241
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.2356	0.3708
Echinococcus multilocularis	allatostatin A receptor	0.002	0.2087	0.0274
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.002	0.2087	0.0274
Brugia malayi	neuropeptide F receptor	0.002	0.2087	0.0241
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.002	0.2087	0.0274
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.4062	0.2677
Echinococcus multilocularis	somatostatin receptor	0.002	0.2087	0.0274
Echinococcus multilocularis	neuropeptide FF receptor 2	0.002	0.2087	0.0274
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.002	0.2087	0.0274
Echinococcus granulosus	g protein coupled receptor	0.002	0.2087	0.0274

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	10.9 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
IC50 (functional)	11.4 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
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Saccharomyces cerevisiae	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.

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: CHEMBL1577129

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1430988