TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.427 | Formula: C24H19N3O2
H donors: 2 H acceptors: 2 LogP: 4.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1[nH]cc2c(c1)c1cc(NCc3ccc4c(c3)cccc4)ccc1n2
InChi: 1S/C24H19N3O2/c1-29-24(28)22-12-20-19-11-18(8-9-21(19)27-23(20)14-26-22)25-13-15-6-7-16-4-2-3-5-17(16)10-15/h2-12,14,25-26H,13H2,1H3
InChiKey: BGETVQMBBYHJJF-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	gamma-aminobutyric acid (GABA) A receptor, gamma 2	Starlite/ChEMBL	References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, alpha 2	Starlite/ChEMBL	References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, beta 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129441	All targets in OG5_129441
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129441	All targets in OG5_129441
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	Get druggable targets OG5_129441	All targets in OG5_129441
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131775	All targets in OG5_131775

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	excitatory GABA receptor EXP-1A	gamma-aminobutyric acid (GABA) A receptor, beta 3	473 aa	441 aa	29.9 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	gamma-aminobutyric acid (GABA) A receptor, gamma 2	467 aa	449 aa	27.6 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	gamma-aminobutyric acid (GABA) A receptor, alpha 2	451 aa	393 aa	25.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0627	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0059	0.0068	0.0112
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0059	0.0068	0.0112
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0258	0.4578	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0128	0.1626	0.2684
Loa Loa (eye worm)	acetylcholine receptor protein	0.0059	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0128	0.1626	0.3553
Onchocerca volvulus	Putative nachr subunit	0.0128	0.1626	0.6927
Brugia malayi	Nuclear hormone receptor E75	0.0075	0.0424	0.07
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0128	0.1626	0.2684
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0075	0.0424	0.0811
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0057	0.0125
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0075	0.0424	0.0926
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0059	0.0068	0.0023
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0159	0.2318	0.5001
Brugia malayi	hypothetical protein	0.0059	0.0068	0.0112
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0324	0.6059	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Echinococcus granulosus	nAChR subunit	0.0069	0.0292	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0627	0.0627
Brugia malayi	hypothetical protein	0.0059	0.0068	0.0112
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0159	0.2318	0.2318
Brugia malayi	hypothetical protein	0.0075	0.0424	0.07
Echinococcus multilocularis	nuclear receptor nhr 48	0.0075	0.0424	0.0811
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0159	0.2318	0.5063
Schistosoma mansoni	nAChR subunit	0.0059	0.0068	0.0148
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Onchocerca volvulus		0.0128	0.1626	0.6927
Schistosoma mansoni	zinc finger protein	0.0075	0.0424	0.0926
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0159	0.2318	0.3825
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0059	0.0068	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0159	0.2318	0.3825
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0159	0.2318	0.5001
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.2318	0.5063
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Brugia malayi	Nuclear hormone receptor-like 1	0.0084	0.0627	0.1034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Brugia malayi	excitatory GABA receptor EXP-1A	0.0128	0.1626	0.2684
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0059	0.0068	0.0112
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0128	0.1626	0.3471
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Echinococcus multilocularis	FTZ F1 alpha	0.0159	0.2318	0.5001
Brugia malayi	Cation transporter family protein	0.0128	0.1626	0.2684
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0075	0.0424	0.07
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0258	0.4578	0.5
Echinococcus multilocularis	nAChR subunit	0.0069	0.0292	0.0518
Onchocerca volvulus		0.0128	0.1626	0.6927
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0128	0.1626	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0265	0.4725	0.4725
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0128	0.1626	0.2684
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0128	0.1626	0.3471
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0159	0.2318	0.5001
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	neurotransmitter gated ion channel	0.0069	0.0292	0.0637
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0159	0.2318	0.5063
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0069	0.0292	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0128	0.1626	0.2684
Loa Loa (eye worm)	ACC-1 protein	0.0128	0.1626	0.1626
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0075	0.0424	0.07
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Loa Loa (eye worm)	LGC-31 protein	0.0128	0.1626	0.1626
Echinococcus granulosus	thyroid hormone receptor alpha	0.0075	0.0424	0.0811
Echinococcus granulosus	nuclear receptor nhr 48	0.0075	0.0424	0.0811
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0057	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0128	0.1626	0.1626
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0059	0.0068	0.0112
Loa Loa (eye worm)	GABA receptor subunit	0.0069	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Loa Loa (eye worm)	steroid hormone receptor	0.0159	0.2318	0.2318
Echinococcus granulosus	glycine receptor subunit beta	0.0128	0.1626	0.3471
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0128	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0627	0.0627
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0075	0.0424	0.1584
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0128	0.1626	0.1626
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0128	0.1626	0.2684
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0159	0.2318	0.5001
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Schistosoma mansoni	retinoic acid receptor RXR	0.0159	0.2318	0.5063
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Brugia malayi	hypothetical protein	0.0059	0.0068	0.0112
Echinococcus multilocularis	nAChR subunit	0.0128	0.1626	0.3471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0159	0.2318	0.5001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0159	0.2318	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Brugia malayi	photoreceptor-specific nuclear receptor	0.0159	0.2318	0.3825
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0159	0.2318	0.5001
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0075	0.0424	0.0811
Brugia malayi	ecdysone receptor	0.0075	0.0424	0.07
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0069	0.0292	0.0481
Brugia malayi	Steroid receptor seven-up type 2	0.0159	0.2318	0.3825
Schistosoma mansoni	nuclear receptor	0.0075	0.0424	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0258	0.4578	0.5
Brugia malayi	ecdysteroid receptor	0.0159	0.2318	0.3825
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0128	0.1626	0.3471
Echinococcus granulosus	nAChR subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0159	0.2318	0.5063
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Loa Loa (eye worm)	DR-78	0.0075	0.0424	0.0424
Brugia malayi	nuclear hormone receptor	0.0159	0.2318	0.3825
Loa Loa (eye worm)	nuclear hormone receptor	0.0075	0.0424	0.0424
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0128	0.1626	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0159	0.2318	0.3825
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0159	0.2318	0.5063
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0128	0.1626	0.1626
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Brugia malayi	hypothetical protein	0.0084	0.0627	0.1034
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0128	0.1626	0.3471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0159	0.2318	0.5001
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0128	0.1626	0.3553
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Brugia malayi	hypothetical protein	0.0059	0.0068	0.0112
Echinococcus multilocularis	glycine receptor subunit beta	0.0128	0.1626	0.3471
Schistosoma mansoni	neurotransmitter gated ion channel	0.0059	0.0068	0.0148
Brugia malayi	tailless protein	0.0075	0.0424	0.07
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0627	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	nuclear receptor	0.0075	0.0424	0.0926
Echinococcus granulosus	ecdysone induced protein 78C	0.0159	0.2318	0.5001
Brugia malayi	nuclear receptor NHR-88	0.0159	0.2318	0.3825
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0128	0.1626	0.3553
Schistosoma mansoni	neurotransmitter gated ion channel	0.0059	0.0068	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0069	0.0292	0.0481
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0059	0.0068	0.0112
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0128	0.1626	0.2684
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0627	0.0627
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0075	0.0424	0.0811
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0084	0.0627	0.1369
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0159	0.2318	0.3825
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus multilocularis	ecdysone induced protein 78C	0.0159	0.2318	0.5001
Brugia malayi	Nuclear hormone receptor-like 1	0.0084	0.0627	0.1034
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0069	0.0292	0.0481
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0159	0.2318	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0159	0.2318	0.3825
Schistosoma mansoni	hypothetical protein	0.0258	0.4578	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0075	0.0424	0.0926
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0159	0.2318	0.5063
Brugia malayi	Cation transporter family protein	0.0128	0.1626	0.2684
Onchocerca volvulus		0.0128	0.1626	0.6927
Brugia malayi	hypothetical protein	0.0075	0.0424	0.07
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0159	0.2318	0.2318
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0075	0.0424	0.0811
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0159	0.2318	0.5001
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0159	0.2318	0.3825
Giardia lamblia	Rrm3p helicase	0.0258	0.4578	0.5
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0084	0.0627	0.126
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0128	0.1626	0.3471
Brugia malayi	orphan nuclear receptor NR2E1	0.0075	0.0424	0.07
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	nuclear receptor nhr-48	0.0075	0.0424	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Brugia malayi	nuclear receptor RXR	0.0084	0.0627	0.1034
Echinococcus granulosus	FTZ F1 alpha	0.0159	0.2318	0.5001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0159	0.2318	0.3825
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0075	0.0424	0.0811
Onchocerca volvulus	Protein ultraspiracle homolog	0.0159	0.2318	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0159	0.2318	0.3825
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0069	0.0292	0.0637
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0128	0.1626	0.1626
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0128	0.1626	0.2684
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0159	0.2318	1
Loa Loa (eye worm)	hypothetical protein	0.0324	0.6059	0.6059
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0159	0.2318	0.3825
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0159	0.2318	0.3825
Onchocerca volvulus		0.0069	0.0292	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Echinococcus granulosus	glycine receptor subunit beta	0.0128	0.1626	0.3471
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0059	0.0068	0.0023
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0128	0.1626	0.3471
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0258	0.4578	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0128	0.1626	0.3471
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0084	0.0627	0.126
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0128	0.1626	0.3471
Onchocerca volvulus		0.0128	0.1626	0.6927
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Echinococcus multilocularis	glycine receptor subunit beta	0.0128	0.1626	0.3471
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0159	0.2318	0.5001
Trichomonas vaginalis	conserved hypothetical protein	0.0258	0.4578	0.5
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0069	0.0292	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	hypothetical protein	0.0059	0.0068	0.0112
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.0424	0.0926
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0159	0.2318	0.5063
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0075	0.0424	0.0811
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0059	0.0068	0.0023
Brugia malayi	Cation transporter family protein	0.0128	0.1626	0.2684
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0075	0.0424	0.0811
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Entamoeba histolytica	hypothetical protein, conserved	0.0258	0.4578	1
Onchocerca volvulus	Bile acid receptor homolog	0.0159	0.2318	1
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0159	0.2318	0.2318
Onchocerca volvulus		0.0159	0.2318	1
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0258	0.4578	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0159	0.2318	0.3825
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0159	0.2318	0.2318
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0258	0.4578	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	nuclear receptor NHR-88	0.0075	0.0424	0.07
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0075	0.0424	0.0811
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0128	0.1626	0.3553
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0084	0.0627	0.0627
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0059	0.0068	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0128	0.1626	0.2684
Loa Loa (eye worm)	ACC-1 protein	0.0128	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	conserved hypotetical protein	0.0075	0.0424	0.07
Onchocerca volvulus		0.0128	0.1626	0.6927
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0059	0.0068	0.0112
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0084	0.0627	0.1369
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0075	0.0424	0.0424
Brugia malayi	Nuclear hormone receptor E75	0.0075	0.0424	0.07
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0292	0.0292
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0159	0.2318	0.5063
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Onchocerca volvulus		0.0075	0.0424	0.1584
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0159	0.2318	0.5001
Onchocerca volvulus		0.0128	0.1626	0.6927
Brugia malayi	nuclear receptor RXR	0.0075	0.0424	0.07
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0258	0.4578	0.5
Onchocerca volvulus		0.0075	0.0424	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0068	0.0068
Onchocerca volvulus		0.0069	0.0292	0.0996
Brugia malayi	steroid hormone receptor	0.0159	0.2318	0.3825
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0059	0.0068	0.0068
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0159	0.2318	0.3825
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0128	0.1626	0.3471
Schistosoma mansoni	RAR-like nuclear receptor	0.0159	0.2318	0.5063
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0128	0.1626	0.2684
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0075	0.0424	0.1584
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0159	0.2318	0.5001
Schistosoma mansoni	nuclear hormone receptor	0.0075	0.0424	0.0926
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0128	0.1626	0.2684
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0159	0.2318	0.5001
Brugia malayi	hypothetical protein	0.0084	0.0627	0.1034
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Schistosoma mansoni	nAChR subunit	0.0128	0.1626	0.3553
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.2318	0.5063
Brugia malayi	nuclear receptor NHR-67	0.0075	0.0424	0.07
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0075	0.0424	0.0811
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0075	0.0424	0.0424
Brugia malayi	nuclear hormone receptor family member odr-7	0.0075	0.0424	0.07
Schistosoma mansoni	acetylcholine receptor-related	0.0059	0.0068	0.0148
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.2318	0.5001
Schistosoma mansoni	nuclear hormone receptor	0.0159	0.2318	0.5063
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0059	0.0068	0.0023
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0159	0.2318	0.2318
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0159	0.2318	0.3825
Schistosoma mansoni	coup transcription factor	0.0159	0.2318	0.5063
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0128	0.1626	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1626	0.1626
Schistosoma mansoni	nAChR subunit	0.0059	0.0068	0.0148
Brugia malayi	nuclear hormone receptor	0.0075	0.0424	0.07
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0258	0.4578	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2318	0.2318
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0258	0.4578	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0159	0.2318	0.3825
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0059	0.0068	0.0023
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0128	0.1626	0.1626
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0159	0.2318	0.5001
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0258	0.4578	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0424	0.0424

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 30.7 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 30.7 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 205 nM	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 205 nM	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 271 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 271 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 814 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 814 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	> 10000 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	> 10000 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha6-beta3-gamma2	ChEMBL.	10633039

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.

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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 303441