TDR Targets

Basic information

Technical information

TDR Targets ID: 1527268
Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-2,2,6a,6b,9, 9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8 a,14a,14b-decahydropicene-4a-carboxylic acid
MW: 466.652 | Formula: C30H42O4
H donors: 1 H acceptors: 4 LogP: 6.46 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C=C2[C@@]3(C)C=CC(=O)C([C@@H]3CC[C@]2([C@]2([C@H]1[C@@H]1CC(C)(C)CC[C@@]1(CC2)C(=O)O)C)C)(C)C
InChi: 1S/C30H42O4/c1-25(2)12-14-30(24(33)34)15-13-29(7)23(18(30)17-25)19(31)16-21-27(5)10-9-22(32)26(3,4)20(27)8-11-28(21,29)6/h9-10,16,18,20,23H,8,11-15,17H2,1-7H3,(H,33,34)/t18-,20-,23-,27-,28+,29+,30-/m0/s1
InChiKey: FQENJHAAXSFPAJ-WKQZTKKJSA-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

(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-10,14-diketo-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nitric oxide synthase 2, inducible	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	neuropeptide receptor	0.0027	0.0031	0.6003
Mycobacterium leprae	Conserved hypothetical protein	0.0945	0.3861	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0032	0.0052	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0027	0.0031	0.6003
Schistosoma mansoni	amine GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	G-protein coupled receptor	0.0027	0.0031	0.0084
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0027	0.0031	0.6003
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0027	0.0031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0032	0.0052	0.5
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	0.0052	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	larval opioid receptor	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus granulosus	neuropeptide Y receptor	0.0027	0.0031	0.6003
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0027	0.0031	0.6003
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	neuropeptide F receptor	0.0027	0.0031	0.0084
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0945	0.3861	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus granulosus	neuropeptides capa receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide Y receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0027	0.0031	0.6003
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Brugia malayi	ORL1-like opioid receptor	0.0027	0.0031	0.0031
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0027	0.0031	0.0084
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Echinococcus multilocularis	G protein coupled receptor 139	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0899	0.3669	1
Brugia malayi	sulfakinin receptor protein	0.0027	0.0031	0.0031
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	sex peptide receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide s receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide receptor	0.0027	0.0031	0.6003
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Brugia malayi	flavodoxin family protein	0.0032	0.0052	0.0052
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0027	0.0031	0.0084
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	hypothetical protein	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Giardia lamblia	Hypothetical protein	0.0029	0.0036	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	g-protein coupled receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide FF receptor 2	0.0027	0.0031	0.6003
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0027	0.0031	0.0084
Echinococcus granulosus	neuropeptides capa receptor	0.0027	0.0031	0.6003
Brugia malayi	FAD binding domain containing protein	0.0032	0.0052	0.0052
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0027	0.0031	0.0031
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0027	0.0031	0.0084
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0027	0.0031	0.0031
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	TYRA-2 protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	neuropeptide F-like receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptides capa receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Schistosoma mansoni	amine GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	opsin-like receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Schistosoma mansoni	opsin-like receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0027	0.0031	0.6003
Schistosoma mansoni	histamine h1 receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Echinococcus granulosus	allatostatin A receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0027	0.0031	0.6003
Brugia malayi	G-protein coupled receptor	0.0027	0.0031	0.0031
Plasmodium falciparum	nitric oxide synthase, putative	0.0032	0.0052	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0031	0.6003
Echinococcus granulosus	hypothetical protein	0.0027	0.0031	0.6003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	7TM GPCR rhodopsin	0.0027	0.0031	0.6003
Echinococcus multilocularis	allatostatin A receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0027	0.0031	0.6003
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0027	0.0031	0.6003
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0032	0.0052	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0032	0.0052	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0027	0.0031	0.0084
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0027	0.0031	0.6003
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Schistosoma mansoni	amine GPCR	0.0027	0.0031	0.6003
Brugia malayi	Melatonin receptor type 1A	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Schistosoma mansoni	neuropeptide f receptor 76f	0.0027	0.0031	0.6003
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0027	0.0031	0.6003
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Echinococcus granulosus	tm gpcr rhodopsin	0.0027	0.0031	0.6003
Brugia malayi	AKH receptor	0.0027	0.0031	0.0031
Brugia malayi	putative neuropeptide receptor NPR1	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	neuropeptide receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0027	0.0031	0.6003
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0027	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Schistosoma mansoni	adenoreceptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	dro:myosuppressin receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	biogenic amine 5HT receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptide receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	opsin-like receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	melatonin receptor type 1A	0.0027	0.0031	0.0084
Echinococcus multilocularis	serotonin receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	neuropeptide F-like receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide receptor	0.0027	0.0031	0.6003
Leishmania major	p450 reductase, putative	0.0032	0.0052	1
Echinococcus multilocularis	neuropeptide receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0027	0.0031	0.6003
Mycobacterium ulcerans	hypothetical protein	0.0945	0.3861	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	putative neuropeptide receptor	0.0027	0.0031	0.0031
Echinococcus multilocularis	sex peptide receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0899	0.3669	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	G protein-coupled receptor F59B2.13	0.0027	0.0031	0.0031
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0032	0.0052	0.5
Schistosoma mansoni	hypothetical protein	0.0027	0.0031	0.6003
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0031	0.6003
Brugia malayi	Dopamine receptor	0.0027	0.0031	0.0031
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0027	0.0031	0.6003
Echinococcus multilocularis	fmrfamide receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0027	0.0031	0.6003
Brugia malayi	neuropeptide F receptor	0.0027	0.0031	0.0031
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0027	0.0031	0.6003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Brugia malayi	Dopamine receptor protein 1	0.0027	0.0031	0.0031
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	neuropeptide receptor A26	0.0027	0.0031	0.6003
Brugia malayi	Dopamine receptor protein 2	0.0027	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Giardia lamblia	Nitric oxide synthase, inducible	0.0029	0.0036	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptide Y receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0032	0.0052	1
Brugia malayi	neuropeptide F receptor	0.0027	0.0031	0.0031
Echinococcus multilocularis	somatostatin receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0027	0.0031	0.0084
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	g-protein coupled receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	hypothetical protein	0.0027	0.0031	0.0031
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptide receptor A26	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Onchocerca volvulus		0.0027	0.0031	0.5
Chlamydia trachomatis	sulfite reductase	0.002	0	0.5
Brugia malayi	G protein-coupled receptor	0.0027	0.0031	0.0031
Brugia malayi	RE15519p	0.0027	0.0031	0.0031
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0027	0.0031	0.6003
Brugia malayi	G-protein coupled receptor	0.0027	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	orexin receptor type 2	0.0027	0.0031	0.6003
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0027	0.0031	0.6003
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0032	0.0052	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0032	0.0052	0.5
Echinococcus granulosus	serotonin receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	Serotonin receptor	0.0027	0.0031	0.0031
Loa Loa (eye worm)	G-protein coupled receptor	0.0027	0.0031	0.0084
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	fmrfamide receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0032	0.0052	0.014
Schistosoma mansoni	myosin xvIII	0.0027	0.0031	0.6003
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0027	0.0031	0.6003
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	0.0052	0.5
Echinococcus granulosus	orexin receptor type 2	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	amine GPCR	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	biogenic amine receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptides capa receptor	0.0027	0.0031	0.6003
Schistosoma mansoni	growth hormone secretagogue receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0052	0.014
Onchocerca volvulus		0.0027	0.0031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Schistosoma mansoni	cytochrome P450 reductase	0.0032	0.0052	1
Onchocerca volvulus		0.0027	0.0031	0.5
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0032	0.0052	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus granulosus	somatostatin receptor	0.0027	0.0031	0.6003
Onchocerca volvulus		0.0027	0.0031	0.5
Onchocerca volvulus		0.0027	0.0031	0.5
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0032	0.0052	0.5
Trypanosoma cruzi	p450 reductase, putative	0.0032	0.0052	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0027	0.0031	0.6003
Trichomonas vaginalis	sulfite reductase, putative	0.0032	0.0052	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0027	0.0031	0.0031
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus multilocularis	serotonin receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	G protein coupled receptor 139	0.0027	0.0031	0.6003
Echinococcus granulosus	fmrfamide receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0027	0.0031	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0027	0.0031	0.6003
Echinococcus multilocularis	neuropeptide Y receptor	0.0027	0.0031	0.6003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0031	0.0084
Echinococcus granulosus	g protein coupled receptor	0.0027	0.0031	0.6003
Brugia malayi	Serotonin receptor	0.0027	0.0031	0.0031
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0027	0.0031	0.6003
Schistosoma mansoni	amine GPCR	0.0027	0.0031	0.6003
Brugia malayi	follicle stimulating hormone receptor	0.0027	0.0031	0.0031
Onchocerca volvulus		0.0027	0.0031	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0027	0.0031	0.6003
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0027	0.0031	0.6003
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0032	0.0052	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0027	0.0031	0.6003

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.17 uM	Compound was evaluated for inhibitory activity against production of nitric oxide (NO) induced by interferon-gamma (IFN-gamma) in mouse macrophages at a concentration of 0.01-40 uM	ChEMBL.	9873608
IC50 (binding)	= 0.2 uM	Inhibition of inducible nitric oxide synthase in activated macrophages	ChEMBL.	15837296
IC50 (functional)	= 0.2 uM	Inhibitory activity against production of nitric oxide induced by interferon-gamma in mouse macrophages	ChEMBL.	10617085
IC50 (functional)	= 0.2 uM	Inhibition of nitric oxide (NO) production induced by interferon-gamma (IFN-gamma) in mouse macrophages	ChEMBL.	11063620
IC50 (functional)	= 0.2 uM	Antiinflammatory activity against IFN-gamma, TNF-alpha and IL-1-stimulated mouse RAW264.7 cells assessed as inhibition of cellular iNOS synthesis	ChEMBL.	21309592
IC50 (functional)	= 0.9 uM	Inhibitory activity on IFN-gamma-induced nitric oxide production in mouse macrophage at a concentration of 0.1-40 uM	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	10617085

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: CHEMBL1765578

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1527268