TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.524 | Formula: C27H27F3N4O2
H donors: 1 H acceptors: 3 LogP: 5.14 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(n1)C(=O)N1CC2(C[C@H]1CNc1ccc(cn1)C(F)(F)F)CC2)OCc1ccccc1
InChi: 1S/C27H27F3N4O2/c1-18-7-9-22(36-16-19-5-3-2-4-6-19)24(33-18)25(35)34-17-26(11-12-26)13-21(34)15-32-23-10-8-20(14-31-23)27(28,29)30/h2-10,14,21H,11-13,15-17H2,1H3,(H,31,32)/t21-/m0/s1
InChiKey: ZBHICFPVARYGHL-NRFANRHFSA-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
Schistosoma mansoni	hypothetical protein	0.0023	0.0176	0.0176
Echinococcus multilocularis	short transient receptor potential channel 6	0.0065	0.0859	0.0859
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0106	0.1518	0.1518
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0012	0.0009	0.0009
Echinococcus granulosus	inhibitor of apoptosis protein	0.0106	0.1518	0.1518
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.035	0.035
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0176	0.0176
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0012	0.0009	0.0009
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0106	0.1518	0.1518
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0402	0.0402
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0803	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Schistosoma mansoni	transient receptor potential channel 4	0.0099	0.1395	0.1395
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0402	0.0402
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0803	0.0364
Entamoeba histolytica	hypothetical protein	0.0037	0.04	0.5
Echinococcus multilocularis	short transient receptor potential channel 6	0.0065	0.0859	0.0859
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0012	0.0009	0.0009
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0803	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.04	0.04
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0552	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	transient receptor potential channel	0.0099	0.1395	0.1395
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0936	0.0936
Onchocerca volvulus	Deterin homolog	0.0106	0.1518	0.5042
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0009	0.0009
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0936	0.0936
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0131	0.1909	0.1909
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0552	0.0552
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0012	0.0009	0.0009
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.0009	0.0009
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0012	0.0009	0.0009
Echinococcus granulosus	short transient receptor potential channel 6	0.0065	0.0859	0.0859
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0106	0.1518	0.1518
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.04	0.04
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0803	0.5
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1509	0.1509
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.02	0.3011	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0552	0.0552
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0012	0.0009	0.0009
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0176	0.0176
Onchocerca volvulus		0.0012	0.0009	0.003
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1395	0.1395
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0349	0.0349
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.0009	0.0009
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0033	0.035	0.035
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.02	0.3011	0.3011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.1509	0.1509
Echinococcus granulosus	serine:threonine protein kinase TAO1	0.0636	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0803	0.0803
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0012	0.0009	0.0009
Loa Loa (eye worm)	STE/STE20/TAO protein kinase	0.0636	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Brugia malayi	hypothetical protein	0.005	0.0622	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	serine/threonine protein kinase	0.0636	1	1
Echinococcus multilocularis	serine:threonine protein kinase TAO1	0.0636	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1909	0.1909
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.04	0.04
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Echinococcus granulosus	transient receptor potential ion channel A	0.0095	0.1342	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1518	0.1518
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.0009	0.0009
Entamoeba histolytica	hypothetical protein	0.0037	0.04	0.5
Onchocerca volvulus		0.0012	0.0009	0.003
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0106	0.1518	0.1518
Brugia malayi	Cation transporter family protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.035	0.035
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0936	0.0936
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0012	0.0009	0.0009
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0012	0.0009	0.0009
Onchocerca volvulus	Putative nachr subunit	0.0012	0.0009	0.003
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0552	0.0552
Echinococcus multilocularis	transient receptor potential ion channel A	0.0095	0.1342	0.1342
Echinococcus multilocularis	serotonin receptor	0.0131	0.1909	0.1909
Schistosoma mansoni	hypothetical protein	0.0033	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0552	0.0552
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0552	0.0552
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0622	0.5
Schistosoma mansoni	hypothetical protein	0.0033	0.035	0.035
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0012	0.0009	0.0009
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0009	0.0009
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0106	0.1518	0.1518
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0012	0.0009	0.0009
Schistosoma mansoni	hypothetical protein	0.0033	0.035	0.035
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0012	0.0009	0.0009
Echinococcus multilocularis	glycine receptor subunit beta	0.0012	0.0009	0.0009
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0972	0.0972
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.0622	0.5
Echinococcus granulosus	nAChR subunit	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1909	0.1909
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Brugia malayi	Cation transporter family protein	0.0012	0.0009	0.0009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0552	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0265	0.4057	0.4057
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0803	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.035	0.035
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0012	0.0009	0.0009
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.035	0.035
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0803	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0009	0.0009
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.0009	0.0009
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0803	0.0803
Onchocerca volvulus		0.0012	0.0009	0.003
Brugia malayi	hypothetical protein	0.0033	0.0335	0.0335
Brugia malayi	N-terminal motif family protein	0.02	0.3011	0.3011
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus granulosus	transient receptor potential gamma protein	0.0099	0.1395	0.1395
Brugia malayi	excitatory GABA receptor EXP-1A	0.0012	0.0009	0.0009
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.035	0.035
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0936	0.0936
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.036	0.5586	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0552	0.0552
Onchocerca volvulus		0.0012	0.0009	0.003
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.1509	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0033	0.035	0.035
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0012	0.0009	0.0009
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0012	0.0009	0.0009
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0012	0.0009	0.0009
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0012	0.0009	0.0009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.1509	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0184	0.2764	0.2764
Loa Loa (eye worm)	RNA binding protein	0.007	0.0936	0.0936
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Onchocerca volvulus		0.0012	0.0009	0.003
Leishmania major	C-8 sterol isomerase-like protein	0.036	0.5586	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0012	0.0009	0.0009
Onchocerca volvulus		0.0106	0.1518	0.5042
Schistosoma mansoni	inhibitor of apoptosis protein	0.0106	0.1518	0.1518
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Loa Loa (eye worm)	LGC-31 protein	0.0012	0.0009	0.0009
Schistosoma mansoni	transient receptor potential channel	0.0065	0.0859	0.0859
Schistosoma mansoni	hypothetical protein	0.0037	0.04	0.04
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0552	0.0552
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0622	0.5
Schistosoma mansoni	hypothetical protein	0.0072	0.0972	0.0972
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0936	0.0936
Entamoeba histolytica	hypothetical protein	0.0037	0.04	0.5
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Echinococcus granulosus	short transient receptor potential channel 6	0.0065	0.0859	0.0859
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0012	0.0009	0.0009
Echinococcus multilocularis	serotonin receptor	0.0131	0.1909	0.1909
Schistosoma mansoni	hypothetical protein	0.0106	0.1518	0.1518
Echinococcus multilocularis	GPCR, family 2	0.0033	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.036	0.5586	0.5586
Brugia malayi	Cation transporter family protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Brugia malayi	TAR-binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0009	0.0009
Brugia malayi	Serine/threonine-protein kinase SULU	0.0636	1	1
Entamoeba histolytica	hypothetical protein	0.0037	0.04	0.5
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.036	0.5586	0.5586
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0012	0.0009	0.0009
Trypanosoma brucei	C-8 sterol isomerase, putative	0.036	0.5586	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0012	0.0009	0.0009
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0402	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus granulosus	tar DNA binding protein	0.007	0.0936	0.0936
Echinococcus granulosus	glycine receptor subunit beta	0.0012	0.0009	0.0009
Echinococcus granulosus	biogenic amine 5HT receptor	0.0131	0.1909	0.1909
Onchocerca volvulus		0.0012	0.0009	0.003
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	transient receptor potential gamma protein	0.0099	0.1395	0.1395
Loa Loa (eye worm)	ACC-1 protein	0.0012	0.0009	0.0009
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0803	0.0803
Echinococcus multilocularis	nAChR subunit	0.0012	0.0009	0.0009
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.035	0.035
Echinococcus granulosus	GPCR family 2	0.0033	0.035	0.035
Schistosoma mansoni	transient receptor potential channel	0.0065	0.0859	0.0859
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	nAChR subunit	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.005	0.0622	0.0622
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0803	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0972	0.0972
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0012	0.0009	0.0009
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0402	0.0402
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0106	0.1518	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0012	0.0009	0.0009
Brugia malayi	Serotonin receptor	0.0462	0.7212	0.7212
Brugia malayi	hypothetical protein	0.0037	0.04	0.04
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0807	0.0807
Brugia malayi	RNA binding protein	0.007	0.0936	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP2C9 at 3 uM by fluorimetric assay	ChEMBL.	23535328
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP2C19 at 3 uM by fluorimetric assay	ChEMBL.	23535328
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP1A2 at 3 uM by fluorimetric assay	ChEMBL.	23535328
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP2D6 at 3 uM by fluorimetric assay	ChEMBL.	23535328
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP3A4 using BFC as substrate at 3 uM by fluorimetric assay	ChEMBL.	23535328
Inhibition (ADMET)	< 71 %	Inhibition of human recombinant CYP3A4 using DBF as substrate at 3 uM by fluorimetric assay	ChEMBL.	23535328
pKb (functional)	= 8.6	Antagonist activity at human recombinant OX1 receptor expressed in CHO cells assessed as OXA-stimulated intracellular calcium mobilization by FLIPR assay	ChEMBL.	23535328
pKb (functional)	= 8.6	Antagonist activity at human recombinant OX2 receptor expressed in HEK293 cells assessed as OXB-stimulated intracellular calcium mobilization by FLIPR assay	ChEMBL.	23535328

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: CHEMBL2381081

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1766431