TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.508 | Formula: C24H21N3OS
H donors: 0 H acceptors: 3 LogP: 3.99 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1csc(n1)c1cc(c2ccccc2C)c2n(c1=O)CCCc1c2cncc1
InChi: 1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3
InChiKey: JAOIJSLHKQEWQB-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 3		References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, alpha 1		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, alpha 3	492 aa	437 aa	28.8 %
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, alpha 1	456 aa	451 aa	30.2 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	nAChR subunit	0.0032	0.0191	0.0313
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.006	0.0502	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Schistosoma mansoni	acetylcholine receptor-related	0.0028	0.0138	0.0138
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0023	0.0084	0.0137
Brugia malayi	hypothetical protein	0.0028	0.0138	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.006	0.0502	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0028	0.0138	0.0227
Echinococcus granulosus	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.006	0.0502	0.0823
Onchocerca volvulus		0.006	0.0502	0.133
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0908	1	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.002	0.0052	0.0052
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.006	0.0502	0.0823
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0032	0.0191	0.0191
Loa Loa (eye worm)	ACC-1 protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.002	0.0052	0.0049
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.006	0.0502	0.0499
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0559	0.6094	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0028	0.0138	0.0136
Echinococcus multilocularis	glycine receptor subunit beta	0.006	0.0502	0.0823
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0559	0.6094	1
Echinococcus granulosus	cyclin dependent kinase 7	0.0419	0.4524	0.7424
Echinococcus granulosus	NCK adaptor protein	0.002	0.0052	0.0085
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Brugia malayi	hypothetical protein	0.0028	0.0138	0.0136
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Schistosoma mansoni	6-phosphofructokinase	0.0272	0.2871	0.2871
Echinococcus multilocularis	nAChR subunit	0.0032	0.0191	0.0313
Echinococcus multilocularis	glycine receptor subunit beta	0.006	0.0502	0.0823
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus granulosus	glycine receptor subunit beta	0.006	0.0502	0.0823
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.006	0.0502	0.0499
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.006	0.0502	0.0502
Echinococcus granulosus	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Brugia malayi	hypothetical protein	0.0028	0.0138	0.0136
Mycobacterium ulcerans	hypothetical protein	0.016	0.1624	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0272	0.2871	0.2869
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0267	0.282	0.2818
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.016	0.1624	0.5
Schistosoma mansoni	tyrosine kinase	0.0023	0.0084	0.0084
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0028	0.0138	0.0136
Onchocerca volvulus		0.0032	0.0191	0.0191
Schistosoma mansoni	tyrosine kinase	0.0549	0.5983	0.5983
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0138	0.0136
Schistosoma mansoni	tyrosine kinase	0.0023	0.0084	0.0084
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0032	0.0191	0.0188
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.006	0.0502	0.0499
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0267	0.282	0.9706
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0028	0.0138	0.0227
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0028	0.0138	0.0136
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0052	0.0049
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.006	0.0502	0.0502
Brugia malayi	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Schistosoma mansoni	serine/threonine protein kinase	0.0419	0.4524	0.4524
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.006	0.0502	0.0823
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0028	0.0138	0.0138
Schistosoma mansoni	tyrosine kinase	0.0023	0.0084	0.0084
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.006	0.0502	0.0499
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0272	0.2871	0.4712
Loa Loa (eye worm)	hypothetical protein	0.0256	0.2698	0.2696
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0419	0.4524	0.4522
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Echinococcus multilocularis	growth factor receptor bound protein 2	0.002	0.0052	0.0085
Loa Loa (eye worm)	GABA receptor subunit	0.0032	0.0191	0.0188
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0028	0.0138	0.0136
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.002	0.0052	0.0049
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0023	0.0084	0.0137
Loa Loa (eye worm)	CMGC/CDK/CDK7 protein kinase	0.0419	0.4524	0.4522
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Brugia malayi	SRC-1	0.0023	0.0084	0.0081
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0138	0.0136
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Schistosoma mansoni	tyrosine kinase	0.0023	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0028	0.0138	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1572	0.157
Schistosoma mansoni	serine/threonine protein kinase	0.0908	1	1
Onchocerca volvulus		0.006	0.0502	0.133
Onchocerca volvulus		0.006	0.0502	0.133
Loa Loa (eye worm)	LGC-31 protein	0.006	0.0502	0.0499
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0023	0.0084	0.0137
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0256	0.2698	0.2696
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus granulosus	c src tyrosine kinase	0.0023	0.0084	0.0137
Giardia lamblia	Hypothetical protein	0.016	0.1624	0.5
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.006	0.0502	0.0499
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0272	0.2871	1
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.006	0.0502	0.0823
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.006	0.0502	0.0823
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0032	0.0191	0.0188
Schistosoma mansoni	growth factor receptor-bound protein	0.002	0.0052	0.0052
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.006	0.0502	0.0823
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0028	0.0138	0.0227
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0023	0.0084	0.0084
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0267	0.282	0.9706
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0028	0.0138	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.006	0.0502	0.0823
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.002	0.0052	0.0049
Brugia malayi	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.006	0.0502	0.0499
Echinococcus multilocularis	NCK adaptor protein	0.002	0.0052	0.0085
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.006	0.0502	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Schistosoma mansoni	adapter molecule crk	0.002	0.0052	0.0052
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.006	0.0502	0.0823
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0267	0.282	0.9706
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0023	0.0084	0.0137
Echinococcus multilocularis	c src tyrosine kinase	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	Sex muscle abnormal protein 5	0.002	0.0052	0.0049
Schistosoma mansoni	nck2/grb4	0.002	0.0052	0.0052
Echinococcus granulosus	glycine receptor subunit beta	0.006	0.0502	0.0823
Echinococcus granulosus	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	Cation transporter family protein	0.006	0.0502	0.0499
Schistosoma mansoni	neurotransmitter gated ion channel	0.0028	0.0138	0.0138
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0028	0.0138	0.0136
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.006	0.0502	0.0499
Echinococcus multilocularis	nAChR subunit	0.006	0.0502	0.0823
Onchocerca volvulus		0.0272	0.2871	1
Schistosoma mansoni	nAChR subunit	0.0028	0.0138	0.0138
Loa Loa (eye worm)	acetylcholine receptor protein	0.0028	0.0138	0.0136
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Echinococcus granulosus	nAChR subunit	0.006	0.0502	0.0823
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0028	0.014	0.0229
Brugia malayi	Cation transporter family protein	0.006	0.0502	0.0499
Onchocerca volvulus		0.006	0.0502	0.133
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Entamoeba histolytica	hypothetical protein	0.0032	0.0191	0.1174
Onchocerca volvulus		0.006	0.0502	0.133
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Echinococcus multilocularis	cyclin dependent kinase 7	0.0419	0.4524	0.7424
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0272	0.2871	0.4712
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.006	0.0502	0.0823
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0032	0.0191	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0431	0.4651	0.4649
Echinococcus granulosus	growth factor receptor bound protein 2	0.002	0.0052	0.0085
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.006	0.0502	0.0499
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.006	0.0502	0.0499
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.006	0.0502	0.0502
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.006	0.0502	0.0502
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0032	0.0191	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Schistosoma mansoni	nAChR subunit	0.0028	0.0138	0.0138
Loa Loa (eye worm)	SRC-1	0.0023	0.0084	0.0081
Onchocerca volvulus		0.0032	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.006	0.0502	0.0499
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Schistosoma mansoni	serine/threonine protein kinase	0.0419	0.4524	0.4524
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0023	0.0084	0.0137
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502
Schistosoma mansoni	vav2	0.0016	0.0003	0.0003
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Loa Loa (eye worm)	ACC-1 protein	0.006	0.0502	0.0499
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0028	0.0138	0.0136
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.006	0.0502	0.0499
Giardia lamblia	Hypothetical protein	0.016	0.1624	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.006	0.0502	0.0499
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.006	0.0502	0.0823
Schistosoma mansoni	growth factor receptor-bound protein	0.002	0.0052	0.0052
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.006	0.0502	0.0823
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0023	0.0084	0.0137
Schistosoma mansoni	neurotransmitter gated ion channel	0.0028	0.0138	0.0138
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.006	0.0502	0.0502
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0032	0.0191	0.0191
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.006	0.0502	0.0823
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0272	0.2871	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.016	0.1624	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.006	0.0502	0.0823
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0052	0.0049
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.006	0.0502	0.0823
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0272	0.2871	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0023	0.0084	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Schistosoma mansoni	neurotransmitter gated ion channel	0.0032	0.0191	0.0191
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.006	0.0502	0.0499
Onchocerca volvulus		0.006	0.0502	0.133
Onchocerca volvulus	Putative nachr subunit	0.006	0.0502	0.133
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0267	0.282	0.9706
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Brugia malayi	excitatory GABA receptor EXP-1A	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0191	0.0188
Brugia malayi	Cation transporter family protein	0.006	0.0502	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2387	0.2385
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0272	0.2871	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0023	0.0084	0.0137
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0138	0.0136
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0023	0.0084	0.0137
Loa Loa (eye worm)	hypothetical protein	0.006	0.0502	0.0499
Schistosoma mansoni	nAChR subunit	0.006	0.0502	0.0502

Activities

Activity type	Activity value	Assay description	Source	Reference
Efficacy (binding)	= 0.08	Efficacy at gamma-aminobutyric acid A receptor, alpha 1-ion channel relative to chlorodiazepoxide.	ChEMBL.	15026049
Efficacy (binding)	= 0.36	Efficacy at Gamma-aminobutyric acid A receptor, alpha 3-ion channel relative to chlorodiazepoxide.	ChEMBL.	15026049
Efficacy (binding)	= 0.08	Efficacy at gamma-aminobutyric acid A receptor, alpha 1-ion channel relative to chlorodiazepoxide.	ChEMBL.	15026049
Efficacy (binding)	= 0.36	Efficacy at Gamma-aminobutyric acid A receptor, alpha 3-ion channel relative to chlorodiazepoxide.	ChEMBL.	15026049
Ki (binding)	= 1.2 nM	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement.	ChEMBL.	15026049
Ki (binding)	= 1.2 nM	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement.	ChEMBL.	15026049
Ki (binding)	= 1.5 nM	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement.	ChEMBL.	15026049
Ki (binding)	= 1.5 nM	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement.	ChEMBL.	15026049

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

ChEMBL: CHEMBL45110
PubChem: 11825514

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 65392