TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.423 | Formula: C19H27NO3
H donors: 2 H acceptors: 3 LogP: 2.66 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/1\CC2C3CC[C@@H]([C@@]3(C)CCC2[C@@]2(C1=CC(=O)CC2)C)O
InChi: 1S/C19H27NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,17,22-23H,3-8,10H2,1-2H3/b20-16+/t12?,13?,14?,17-,18+,19-/m0/s1
InChiKey: NMYWNOLKCQNSCX-JVMHWDEMSA-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

No curated genes were found associated with this compound

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
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Echinococcus multilocularis	g-protein coupled receptor	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.012	0.211	0.211
Schistosoma mansoni	histamine h1 receptor	0.012	0.211	0.211
Brugia malayi	G-protein coupled receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	putative neuropeptide receptor NPR1	0.012	0.211	0.211
Echinococcus granulosus	tachykinin peptides receptor 99D	0.012	0.211	0.211
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0085	0.1336	0.1336
Echinococcus multilocularis	g protein coupled receptor	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Echinococcus granulosus	sex peptide receptor	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Echinococcus granulosus	serotonin receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	g protein coupled receptor	0.012	0.211	0.211
Echinococcus multilocularis	fmrfamide receptor	0.012	0.211	0.211
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.012	0.211	0.211
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.012	0.211	0.211
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.012	0.211	0.211
Echinococcus granulosus	7tm_1 domain containing protein	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide Y receptor	0.012	0.211	0.211
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.012	0.211	0.211
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	ceramide glucosyltransferase	0.0476	1	1
Brugia malayi	ORL1-like opioid receptor	0.012	0.211	0.211
Schistosoma mansoni	ceramide glucosyltransferase	0.0476	1	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.012	0.211	0.211
Echinococcus granulosus	biogenic amine 5HT receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.012	0.211	0.211
Schistosoma mansoni	opsin-like receptor	0.012	0.211	0.211
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.012	0.211	0.211
Schistosoma mansoni	amine GPCR	0.012	0.211	0.211
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.1508	0.1508
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.012	0.211	0.211
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0085	0.1336	0.1336
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide receptor	0.012	0.211	0.211
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.012	0.211	0.211
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0476	1	1
Echinococcus granulosus	G protein coupled receptor 139	0.012	0.211	0.211
Echinococcus multilocularis	sex peptide receptor	0.012	0.211	0.211
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0476	1	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Echinococcus granulosus	g protein coupled receptor	0.012	0.211	0.211
Brugia malayi	putative neuropeptide receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	follicle stimulating hormone receptor	0.012	0.211	0.211
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.012	0.211	0.211
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.012	0.211	0.211
Brugia malayi	GnHR receptor homolog	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide Y receptor	0.012	0.211	0.211
Schistosoma mansoni	amine GPCR	0.012	0.211	0.211
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (5HT) receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	g protein coupled receptor	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide receptor	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.012	0.211	0.211
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.012	0.211	0.211
Schistosoma mansoni	opsin-like receptor	0.012	0.211	0.211
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0079	0.1212	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.012	0.211	0.211
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.012	0.211	0.211
Schistosoma mansoni	amine GPCR	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (5HT) receptor	0.012	0.211	0.211
Echinococcus multilocularis	allatostatin A receptor	0.012	0.211	0.211
Brugia malayi	RE15519p	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.012	0.211	0.211
Brugia malayi	AKH receptor	0.012	0.211	0.211
Schistosoma mansoni	voltage-gated potassium channel	0.0093	0.1508	0.1508
Schistosoma mansoni	neuropeptide receptor	0.012	0.211	0.211
Brugia malayi	Dopamine receptor protein 2	0.012	0.211	0.211
Brugia malayi	Serotonin receptor	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Schistosoma mansoni	adenoreceptor	0.012	0.211	0.211
Echinococcus granulosus	ceramide glucosyltransferase	0.0476	1	1
Echinococcus multilocularis	neuropeptide receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	tm gpcr rhodopsin	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.012	0.211	0.211
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.012	0.211	0.211
Echinococcus granulosus	neuropeptides capa receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	tm gpcr rhodopsin	0.012	0.211	0.211
Brugia malayi	G-protein coupled receptor	0.012	0.211	0.211
Schistosoma mansoni	amine GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide receptor	0.012	0.211	0.211
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.012	0.211	0.211
Echinococcus multilocularis	serotonin receptor	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide Y receptor	0.012	0.211	0.211
Schistosoma mansoni	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	g protein coupled receptor	0.012	0.211	0.211
Echinococcus granulosus	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	ceramide glucosyltransferase	0.0476	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.012	0.211	0.211
Echinococcus multilocularis	G protein coupled receptor 139	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide receptor A26	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide receptor A26	0.012	0.211	0.211
Loa Loa (eye worm)	G-protein coupled receptor	0.012	0.211	0.211
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptides capa receptor	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide f receptor 76f	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	neuropeptide F receptor	0.012	0.211	0.211
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine receptor	0.012	0.211	0.211
Echinococcus granulosus	orexin receptor type 2	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Giardia lamblia	Ceramide glucosyltransferase	0.0216	0.4235	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide s receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	g protein coupled receptor	0.012	0.211	0.211
Echinococcus granulosus	allatostatin A receptor	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.012	0.211	0.211
Schistosoma mansoni	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	alpha-1 adrenergic receptor	0.012	0.211	0.211
Echinococcus granulosus	g-protein coupled receptor	0.012	0.211	0.211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide receptor	0.012	0.211	0.211
Brugia malayi	Melatonin receptor type 1A	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	G protein-coupled receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1087	0.1087
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.012	0.211	0.211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	G protein-coupled receptor F59B2.13	0.012	0.211	0.211
Echinococcus granulosus	tm gpcr rhodopsin	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide Y receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	Serotonin receptor	0.012	0.211	0.211
Brugia malayi	neuropeptide F receptor	0.012	0.211	0.211
Brugia malayi	Dopamine receptor protein 1	0.012	0.211	0.211
Echinococcus granulosus	alpha 1A adrenergic receptor	0.012	0.211	0.211
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.012	0.211	0.211
Echinococcus granulosus	neuropeptides capa receptor	0.012	0.211	0.211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0079	0.1212	0.5
Brugia malayi	sulfakinin receptor protein	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide F-like receptor	0.012	0.211	0.211
Schistosoma mansoni	amine GPCR	0.012	0.211	0.211
Brugia malayi	larval opioid receptor	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptides capa receptor	0.012	0.211	0.211
Schistosoma mansoni	neuropeptide F-like receptor	0.012	0.211	0.211
Echinococcus granulosus	fmrfamide receptor	0.012	0.211	0.211
Echinococcus granulosus	biogenic amine 5HT receptor	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	myosin xvIII	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0085	0.1336	0.1336
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	neuropeptide F receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Loa Loa (eye worm)	neuropeptide F receptor	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.012	0.211	0.211
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.012	0.211	0.211
Loa Loa (eye worm)	G-protein coupled receptor	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide receptor	0.012	0.211	0.211
Echinococcus granulosus	dro:myosuppressin receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	Dopamine receptor	0.012	0.211	0.211
Echinococcus granulosus	7TM GPCR rhodopsin	0.012	0.211	0.211
Echinococcus multilocularis	neuropeptide FF receptor 2	0.012	0.211	0.211
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0085	0.1336	0.1336
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Echinococcus multilocularis	dro:myosuppressin receptor	0.012	0.211	0.211
Echinococcus multilocularis	orexin receptor type 2	0.012	0.211	0.211
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.012	0.211	0.211
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.012	0.211	0.211
Echinococcus multilocularis	fmrfamide receptor	0.012	0.211	0.211
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.012	0.211	0.211
Echinococcus granulosus	somatostatin receptor	0.012	0.211	0.211
Loa Loa (eye worm)	TYRA-2 protein	0.012	0.211	0.211
Schistosoma mansoni	growth hormone secretagogue receptor	0.012	0.211	0.211
Brugia malayi	Tachykinin-like peptides receptor 99D	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	opsin-like receptor	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.012	0.211	0.211
Echinococcus multilocularis	serotonin receptor	0.012	0.211	0.211
Echinococcus multilocularis	somatostatin receptor	0.012	0.211	0.211
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide s receptor	0.012	0.211	0.211
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.012	0.211	0.211
Echinococcus granulosus	peptide allatostatin:somatostatin	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Brugia malayi	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.012	0.211	0.211
Echinococcus multilocularis	rhodopsin orphan GPCR	0.012	0.211	0.211
Loa Loa (eye worm)	hypothetical protein	0.012	0.211	0.211
Schistosoma mansoni	hypothetical protein	0.012	0.211	0.211
Echinococcus granulosus	neuropeptide FF receptor 2	0.012	0.211	0.211
Schistosoma mansoni	biogenic amine receptor	0.012	0.211	0.211
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.012	0.211	0.211
Echinococcus granulosus	rhodopsin orphan GPCR	0.012	0.211	0.211

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against P-388 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against A-549 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against HT-29 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against MEL-28 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against P-388 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against A-549 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against HT-29 tumor cells.	ChEMBL.	11472215
IC50 (functional)	= 5 ug ml-1	In vitro antitumor activity against MEL-28 tumor cells.	ChEMBL.	11472215

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	11472215
Homo sapiens	ChEMBL23	11472215

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 146578