TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 541.644 | Formula: C30H35N7O3
H donors: 2 H acceptors: 4 LogP: 3.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1NC(=O)c1ccc(cc1)C)c1nn(c2c1c(N)ncn2)C1CCN(CC1)C1CCOCC1
InChi: 1S/C30H35N7O3/c1-19-3-5-20(6-4-19)30(38)34-24-8-7-21(17-25(24)39-2)27-26-28(31)32-18-33-29(26)37(35-27)23-9-13-36(14-10-23)22-11-15-40-16-12-22/h3-8,17-18,22-23H,9-16H2,1-2H3,(H,34,38)(H2,31,32,33)
InChiKey: IIGKHCOMPQGVTL-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	LCK proto-oncogene, Src family tyrosine kinase	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	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Schistosoma mansoni	neuropeptide receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	histamine h1 receptor	0.0028	0.1242	0.1774
Onchocerca volvulus		0.0028	0.1242	0.5
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0012	0.0148	0.0127
Echinococcus multilocularis	expressed conserved protein	0.01	0.6334	0.6326
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	neuropeptide receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0028	0.1242	0.1224
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.0028	0.1242	0.1224
Schistosoma mansoni	amine GPCR	0.0028	0.1242	0.1774
Echinococcus multilocularis	G protein coupled receptor 139	0.0028	0.1242	0.1224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Brugia malayi	ORL1-like opioid receptor	0.0028	0.1242	0.1804
Schistosoma mansoni	biogenic amine receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	inositol monophosphatase	0.0042	0.2242	0.3227
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.2515	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.2515	0.3705
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0075	0.4556	0.6702
Echinococcus granulosus	tm gpcr rhodopsin	0.0028	0.1242	0.1224
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0028	0.1242	0.1224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	transcription factor Dp 1	0.0043	0.2344	0.2328
Schistosoma mansoni	hypothetical protein	0.0044	0.2399	0.3455
Onchocerca volvulus		0.0028	0.1242	0.5
Schistosoma mansoni	biogenic amine receptor	0.0028	0.1242	0.1774
Echinococcus granulosus	sex peptide receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	serotonin receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	neuropeptide f receptor 76f	0.0028	0.1242	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	g protein coupled receptor	0.0028	0.1242	0.1224
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0028	0.1242	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Onchocerca volvulus		0.0028	0.1242	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0028	0.1242	0.1774
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	inositol monophosphatase	0.0042	0.2242	0.3227
Brugia malayi	CHE-14 protein	0.0046	0.2515	0.3686
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	SRC-1	0.001	0.0021	0.0031
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0028	0.1242	0.1774
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0075	0.4556	1
Brugia malayi	neuropeptide F receptor	0.0028	0.1242	0.1804
Loa Loa (eye worm)	G-protein coupled receptor	0.0028	0.1242	0.1829
Schistosoma mansoni	growth hormone secretagogue receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	neuropeptide receptor	0.0028	0.1242	0.1774
Echinococcus multilocularis	transcription factor Dp 1	0.0043	0.2344	0.2328
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.6904	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0028	0.1242	0.1224
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0028	0.1242	0.1774
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0075	0.4556	0.4545
Loa Loa (eye worm)	G-protein coupled receptor	0.0028	0.1242	0.1829
Echinococcus granulosus	somatostatin receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	melatonin receptor type 1A	0.0028	0.1242	0.1829
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.4302	0.429
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	g-protein coupled receptor	0.0028	0.1242	0.1224
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0042	0.2242	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.278	0.4009
Brugia malayi	TAR-binding protein	0.0071	0.4302	0.6326
Brugia malayi	putative neuropeptide receptor NPR1	0.0028	0.1242	0.1804
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0845	0.1245
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0028	0.1242	0.1774
Leishmania major	cytochrome p450-like protein	0.0022	0.0845	0.1582
Schistosoma mansoni	biogenic amine receptor	0.0028	0.1242	0.1774
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Brugia malayi	Dopamine receptor protein 1	0.0028	0.1242	0.1804
Onchocerca volvulus		0.0028	0.1242	0.5
Onchocerca volvulus		0.0028	0.1242	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	amine GPCR	0.0028	0.1242	0.1774
Brugia malayi	G protein-coupled receptor F59B2.13	0.0028	0.1242	0.1804
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0028	0.1242	0.1224
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.2242	0.4751
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus multilocularis	neuropeptides capa receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	neuropeptide receptor	0.0028	0.1242	0.1224
Brugia malayi	follicle stimulating hormone receptor	0.0028	0.1242	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	neuropeptide receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	inositol-1	0.0042	0.2242	0.3303
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0845	0.1218
Loa Loa (eye worm)	CYP4Cod1	0.0022	0.0845	0.1245
Echinococcus granulosus	dro:myosuppressin receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0.0845	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	Serotonin receptor	0.0028	0.1242	0.1804
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.2515	0.2499
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.278	0.2765
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0148	0.0188
Brugia malayi	Serotonin receptor	0.0028	0.1242	0.1804
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0028	0.1242	0.1774
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0028	0.1242	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.278	0.4009
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0028	0.1242	0.1224
Echinococcus granulosus	7TM GPCR rhodopsin	0.0028	0.1242	0.1224
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0028	0.1242	0.1774
Echinococcus granulosus	tm gpcr rhodopsin	0.0028	0.1242	0.1224
Schistosoma mansoni	adenoreceptor	0.0028	0.1242	0.1774
Brugia malayi	neuropeptide F receptor	0.0028	0.1242	0.1804
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Schistosoma mansoni	cytochrome P450	0.0012	0.0148	0.0184
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Brugia malayi	RNA binding protein	0.0071	0.4302	0.6326
Echinococcus multilocularis	dro:myosuppressin receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	neuropeptide Y receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	neuropeptides capa receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	RE15519p	0.0028	0.1242	0.1804
Schistosoma mansoni	hypothetical protein	0.0028	0.1242	0.1774
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.4302	0.6337
Schistosoma mansoni	hypothetical protein	0.0044	0.2399	0.3455
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0028	0.1242	0.1774
Brugia malayi	sulfakinin receptor protein	0.0028	0.1242	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	neuropeptide receptor A26	0.0028	0.1242	0.1224
Echinococcus multilocularis		0.0012	0.0148	0.0127
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus granulosus	fmrfamide receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	fmrfamide receptor	0.0028	0.1242	0.1224
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0075	0.4556	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.278	0.2765
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.2242	0.4751
Echinococcus granulosus	neuropeptide Y receptor	0.0028	0.1242	0.1224
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0028	0.1242	0.1804
Onchocerca volvulus		0.0028	0.1242	0.5
Schistosoma mansoni	hypothetical protein	0.0044	0.2399	0.3455
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	cytochrome P450	0.0012	0.0148	0.0217
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0075	0.4556	0.6589
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.278	0.4096
Schistosoma mansoni	amine GPCR	0.0028	0.1242	0.1774
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0075	0.4556	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0107	0.6788	1
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0028	0.1242	0.1224
Echinococcus granulosus	inositol monophosphatase 1	0.0042	0.2242	0.2226
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Echinococcus multilocularis	protein patched	0.0046	0.2515	0.2499
Echinococcus granulosus	g protein coupled receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	orexin receptor type 2	0.0028	0.1242	0.1224
Loa Loa (eye worm)	RNA binding protein	0.0071	0.4302	0.6337
Echinococcus multilocularis	neuropeptide receptor A26	0.0028	0.1242	0.1224
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0028	0.1242	0.1774
Brugia malayi	Dopamine receptor	0.0028	0.1242	0.1804
Brugia malayi	Inositol-1	0.0042	0.2242	0.3283
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.278	0.4009
Brugia malayi	larval opioid receptor	0.0028	0.1242	0.1804
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0028	0.1242	0.1829
Loa Loa (eye worm)	TYRA-2 protein	0.0028	0.1242	0.1829
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0028	0.1242	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0028	0.1242	0.1774
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Echinococcus multilocularis	Niemann Pick C1 protein	0.0107	0.6788	0.6781
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0028	0.1242	0.1774
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.278	0.2765
Echinococcus granulosus	biogenic amine 5HT receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.278	0.2765
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0028	0.1242	0.1804
Onchocerca volvulus		0.0028	0.1242	0.5
Brugia malayi	Melatonin receptor type 1A	0.0028	0.1242	0.1804
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Trypanosoma brucei	cytochrome P450, putative	0.0022	0.0845	0.1582
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0028	0.1242	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0028	0.1242	0.1224
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0028	0.1242	0.1829
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.2242	0.4751
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0028	0.1242	0.1224
Brugia malayi	G protein-coupled receptor	0.0028	0.1242	0.1804
Echinococcus multilocularis	serotonin receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	G protein coupled receptor 139	0.0028	0.1242	0.1224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0075	0.4556	0.509
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0028	0.1242	0.1224
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0107	0.6788	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4302	0.622
Schistosoma mansoni	hypothetical protein	0.0044	0.2399	0.3455
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0028	0.1242	0.1224
Echinococcus granulosus	g protein coupled receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0028	0.1242	0.1224
Onchocerca volvulus		0.0028	0.1242	0.5
Schistosoma mansoni	patched 1	0.0046	0.2515	0.3624
Schistosoma mansoni	neuropeptide F-like receptor	0.0028	0.1242	0.1774
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0845	0.1582
Onchocerca volvulus		0.0028	0.1242	0.5
Brugia malayi	G-protein coupled receptor	0.0028	0.1242	0.1804
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0845	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	expressed conserved protein	0.01	0.6334	0.6326
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	g protein coupled receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	amine GPCR	0.0028	0.1242	0.1774
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0042	0.2242	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.4302	0.6326
Echinococcus granulosus	serotonin receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	allatostatin A receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	hypothetical protein	0.0012	0.0148	0.0184
Schistosoma mansoni	opsin-like receptor	0.0028	0.1242	0.1774
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.2515	0.2499
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0148	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2515	0.3705
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	opsin-like receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	AKH receptor	0.0028	0.1242	0.1804
Loa Loa (eye worm)	neuropeptide F receptor	0.0028	0.1242	0.1829
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.1934	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0042	0.2242	1
Echinococcus granulosus	hypothetical protein	0.0028	0.1242	0.1224
Echinococcus multilocularis	g-protein coupled receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4302	0.622
Brugia malayi	GnHR receptor homolog	0.0028	0.1242	0.1804
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0028	0.1242	0.1224
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	opsin-like receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	protein dispatched 1	0.0052	0.2969	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0028	0.1242	0.1804
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus multilocularis	neuropeptide receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Echinococcus granulosus	neuropeptides capa receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	hypothetical protein	0.0028	0.1242	0.1774
Brugia malayi	G-protein coupled receptor	0.0028	0.1242	0.1804
Echinococcus granulosus	neuropeptide s receptor	0.0028	0.1242	0.1224
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0075	0.4556	1
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Echinococcus multilocularis	Niemann Pick C1 protein	0.0153	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0028	0.1242	0.1804
Schistosoma mansoni	hypothetical protein	0.0028	0.1242	0.1774
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0028	0.1242	0.1829
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4302	0.622
Echinococcus granulosus	allatostatin A receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	sex peptide receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4302	0.622
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0845	0.1245
Echinococcus granulosus	neuropeptide Y receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	myosin xvIII	0.0028	0.1242	0.1774
Brugia malayi	hypothetical protein	0.0028	0.1242	0.1804
Echinococcus granulosus	biogenic amine 5HT receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	7tm_1 domain containing protein	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	Dopamine receptor protein 2	0.0028	0.1242	0.1804
Onchocerca volvulus		0.0028	0.1242	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0075	0.4556	0.4545
Echinococcus granulosus	tar DNA binding protein	0.0071	0.4302	0.429
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Schistosoma mansoni	neuropeptide F-like receptor	0.0028	0.1242	0.1774
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4302	0.622
Echinococcus multilocularis	g protein coupled receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0028	0.1242	0.1774
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.2515	0.2499
Echinococcus multilocularis	somatostatin receptor	0.0028	0.1242	0.1224
Onchocerca volvulus		0.0028	0.1242	0.5
Schistosoma mansoni	hypothetical protein	0.0028	0.1242	0.1774
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.1934	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0107	0.6788	0.6781
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0028	0.1242	0.1774
Echinococcus multilocularis	neuropeptides capa receptor	0.0028	0.1242	0.1224
Schistosoma mansoni	amine GPCR	0.0028	0.1242	0.1774
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0075	0.4556	0.6712
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0028	0.1242	0.1224
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	tm gpcr rhodopsin	0.0028	0.1242	0.1224
Echinococcus multilocularis	g protein coupled receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0107	0.6788	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0028	0.1242	0.1224
Echinococcus granulosus	rhodopsin orphan GPCR	0.0028	0.1242	0.1224
Loa Loa (eye worm)	neuropeptide F receptor	0.0028	0.1242	0.1829
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0028	0.1242	0.1224
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0042	0.2242	0.4751
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	cytochrome P450	0.0012	0.0148	0.0188
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0028	0.1242	0.1224
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0845	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Brugia malayi	putative neuropeptide receptor	0.0028	0.1242	0.1804
Schistosoma mansoni	neuropeptide receptor	0.0028	0.1242	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3238	0.477
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0028	0.1242	0.1224
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.278	0.4078
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0028	0.1242	0.1224
Echinococcus granulosus	neuropeptide receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.4302	0.6337
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0148	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus multilocularis	inositol monophosphatase 1	0.0042	0.2242	0.2226
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0028	0.1242	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1242	0.1829
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0028	0.1242	0.1224
Echinococcus multilocularis	neuropeptide Y receptor	0.0028	0.1242	0.1224

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)		Inhibition of TCR stimulated IL2 production in mice administered orally	ChEMBL.	16216497
ED50 (functional)	0	Inhibition of TCR stimulated IL2 production in mice administered orally	ChEMBL.	16216497
IC50 (functional)		Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood	ChEMBL.	16216497
IC50 (functional)	0	Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood	ChEMBL.	16216497
IC50 (binding)	= 8.96 uM	Inhibitory activity against lck	ChEMBL.	16216497
IC50 (binding)	= 8.96 uM	Inhibitory activity against lck	ChEMBL.	16216497
IC50 (binding)	> 50 uM	Inhibitory activity against fyn	ChEMBL.	16216497
IC50 (binding)	> 50 uM	Inhibitory activity against fyn	ChEMBL.	16216497

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: CHEMBL370383

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 348421