TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.441 | Formula: C24H20N4O2
H donors: 1 H acceptors: 2 LogP: 4.6 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)n1nc2n(c1=O)c(=O)[nH]c1c2cc(CCc2ccccc2)cc1
InChi: 1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)
InChiKey: OEIRQQZGARGKRG-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, beta 3	Starlite/ChEMBL	References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, alpha 2	Starlite/ChEMBL	References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, gamma 2	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
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129441	All targets in OG5_129441

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 %
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	excitatory GABA receptor EXP-1A	gamma-aminobutyric acid (GABA) A receptor, beta 3	473 aa	441 aa	29.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0069	0.0498	0.0898
Mycobacterium ulcerans	threonine dehydratase	0.0037	0.0168	0.0731
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Mycobacterium tuberculosis	Probable lipase LipE	0.0152	0.1377	0.1331
Trypanosoma cruzi	cysteine synthase, putative	0.0149	0.1342	0.3778
Mycobacterium leprae	conserved hypothetical protein	0.0152	0.1377	1
Mycobacterium tuberculosis	Threonine synthase ThrC (ts)	0.0037	0.0168	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0411	0.4091	0.738
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.031	0.0559
Onchocerca volvulus	Serine racemase homolog	0.0037	0.0168	0.1008
Brugia malayi	beta-lactamase	0.0152	0.1377	0.3313
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0069	0.0498	0.0898
Onchocerca volvulus		0.0146	0.1313	0.9526
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Loa Loa (eye worm)	pyridoxal-phosphate dependent enzyme family protein	0.0037	0.0168	0.0378
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0251	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0416	0.4137	1
Echinococcus granulosus	tar DNA binding protein	0.0411	0.4091	0.738
Loa Loa (eye worm)	TAR-binding protein	0.0411	0.4091	0.9889
Mycobacterium tuberculosis	Conserved protein	0.0152	0.1377	0.1331
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0045	0.0251	0.0539
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.0457	0.0824
Echinococcus multilocularis	glycine receptor subunit beta	0.0045	0.0251	0.0453
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0158	0.1433	0.407
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.031	0.0559
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0045	0.0251	0.0453
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0045	0.0251	0.0453
Entamoeba histolytica	cysteine synthase A, putative	0.0149	0.1342	1
Brugia malayi	Cation transporter family protein	0.0045	0.0251	0.0539
Mycobacterium leprae	Probable lipase LipE	0.0152	0.1377	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0069	0.0498	0.1147
Onchocerca volvulus		0.0026	0.0053	0.0156
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0045	0.0251	0.0453
Mycobacterium ulcerans	cystathionine beta-synthase	0.0149	0.1342	0.8225
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Loa Loa (eye worm)	hypothetical protein	0.022	0.209	0.5037
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0045	0.0251	0.0579
Onchocerca volvulus		0.0045	0.0251	0.1626
Mycobacterium tuberculosis	Conserved protein	0.0152	0.1377	0.1331
Mycobacterium leprae	Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450)	0.0149	0.1342	0.9735
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0053	0.0052
Schistosoma mansoni	hypothetical protein	0.0022	0.0012	0.0022
Mycobacterium ulcerans	cysteine synthase a CysK1	0.0149	0.1342	0.8225
Plasmodium vivax	hypothetical protein, conserved	0.0152	0.1377	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Trypanosoma cruzi	cystathionine beta-synthase	0.0149	0.1342	0.3778
Loa Loa (eye worm)	GABA receptor subunit	0.0024	0.0032	0.0049
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0045	0.0251	0.0453
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0045	0.0251	0.0453
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0024	0.0032	0.0058
Schistosoma mansoni	bromodomain containing protein	0.0069	0.0498	0.0898
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0045	0.0251	0.0539
Trichomonas vaginalis	esterase, putative	0.0152	0.1377	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0045	0.0251	0.0453
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0152	0.1377	0.3313
Entamoeba histolytica	hypothetical protein	0.0075	0.0564	0.4059
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0045	0.0251	0.0453
Brugia malayi	Bromodomain containing protein	0.0081	0.0631	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Trypanosoma cruzi	cystathionine beta-synthase	0.0149	0.1342	0.3778
Schistosoma mansoni	hypothetical protein	0.0069	0.0498	0.0898
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0024	0.0032	0.0058
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0251	0.0453
Chlamydia trachomatis	tryptophan synthase subunit beta	0.0037	0.0168	0.5
Schistosoma mansoni	cysteine synthase	0.0149	0.1342	0.2421
Echinococcus granulosus	glycine receptor subunit beta	0.0045	0.0251	0.0453
Entamoeba histolytica	threonine dehydratase, putative	0.0037	0.0168	0.1035
Mycobacterium tuberculosis	Conserved protein	0.0152	0.1377	0.1331
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0053	0.016
Toxoplasma gondii	pyridoxal-phosphate dependent superfamily protein	0.0149	0.1342	0.9709
Schistosoma mansoni	threonine dehydratase	0.0037	0.0168	0.0303
Entamoeba histolytica	threonine dehydratase, putative	0.0037	0.0168	0.1035
Mycobacterium tuberculosis	Probable esterase LipL	0.0152	0.1377	0.1331
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.1377	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Loa Loa (eye worm)	RNA binding protein	0.0411	0.4091	0.9889
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0564	0.1017
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0333	0.3276	1
Mycobacterium tuberculosis	Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450)	0.0149	0.1342	0.1296
Mycobacterium ulcerans	threonine synthase	0.0037	0.0168	0.0731
Mycobacterium ulcerans	cysteine synthase B	0.0149	0.1342	0.8225
Onchocerca volvulus	Putative nachr subunit	0.0045	0.0251	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0053	0.01
Brugia malayi	Bromodomain containing protein	0.0042	0.0213	0.0446
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Brugia malayi	Latrophilin receptor protein 2	0.0069	0.0498	0.1147
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0034	0.0061
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0241	0.2308	0.5607
Brugia malayi	PHD-finger family protein	0.0027	0.0061	0.007
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.1377	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Schistosoma mansoni	tar DNA-binding protein	0.0411	0.4091	0.738
Mycobacterium ulcerans	esterase/lipase LipP	0.0152	0.1377	0.8449
Onchocerca volvulus		0.0152	0.1377	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Brugia malayi	hypothetical protein	0.0075	0.0564	0.131
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Toxoplasma gondii	CBS family protein	0.0149	0.1342	0.9709
Echinococcus multilocularis	nAChR subunit	0.0045	0.0251	0.0453
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Brugia malayi	beta-lactamase family protein	0.0152	0.1377	0.3313
Echinococcus granulosus	geminin	0.055	0.5544	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Onchocerca volvulus		0.0152	0.1377	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0047	0.0269	0.0326
Brugia malayi	latrophilin 2 splice variant baaae	0.0148	0.1334	0.3208
Echinococcus granulosus	beta LACTamase domain containing family member	0.0152	0.1377	0.2484
Mycobacterium tuberculosis	Probable lyase	0.0037	0.0168	0.0115
Leishmania major	threonine synthase, putative	0.0037	0.0168	0.0356
Mycobacterium tuberculosis	Cysteine synthase a CysK1 (O-acetylserine sulfhydrylase A) (O-acetylserine (thiol)-lyase A) (CSASE A)	0.0149	0.1342	0.1296
Trypanosoma cruzi	serine sulfhydrylase	0.0149	0.1342	0.3778
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0045	0.0251	0.0453
Entamoeba histolytica	hypothetical protein	0.0075	0.0564	0.4059
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0149	0.1342	0.3778
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0045	0.0251	0.0539
Leishmania major	cysteine synthase	0.0149	0.1342	0.3999
Onchocerca volvulus		0.0045	0.0251	0.1626
Trypanosoma cruzi	serine sulfhydrylase	0.0149	0.1342	0.3778
Schistosoma mansoni	hypothetical protein	0.0075	0.0564	0.1017
Mycobacterium leprae	PROBABLE THREONINE SYNTHASE THRC	0.0037	0.0168	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0053	0.0052
Schistosoma mansoni	threonine dehydratase/deaminase	0.0037	0.0168	0.0303
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0053	0.016
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Brugia malayi	RNA binding protein	0.0411	0.4091	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0069	0.0498	0.0898
Schistosoma mansoni	hypothetical protein	0.0069	0.0498	0.0898
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0034	0.0061
Schistosoma mansoni	tar DNA-binding protein	0.0411	0.4091	0.738
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0152	0.1377	0.2484
Loa Loa (eye worm)	ACC-1 protein	0.0045	0.0251	0.0579
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0186	0.0336
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0045	0.0251	0.0453
Trichomonas vaginalis	threonine synthase, putative	0.0149	0.1342	0.9709
Mycobacterium ulcerans	beta-lactamase	0.0152	0.1377	0.8449
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0152	0.1377	0.3309
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0045	0.0251	0.0453
Trypanosoma cruzi	hypothetical protein, conserved	0.0152	0.1377	0.3891
Trichomonas vaginalis	penicillin-binding protein, putative	0.0152	0.1377	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0263	0.0608
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.031	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Schistosoma mansoni	hypothetical protein	0.055	0.5544	1
Brugia malayi	MH2 domain containing protein	0.0127	0.1114	0.2665
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0047	0.0269	0.0326
Trichomonas vaginalis	threonine synthase, putative	0.0149	0.1342	0.9709
Brugia malayi	Cation transporter family protein	0.0045	0.0251	0.0539
Onchocerca volvulus		0.0037	0.0168	0.1008
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.031	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Mycobacterium leprae	Probable threonine dehydratase IlvA	0.0037	0.0168	0.0865
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0217	0.2055	0.4953
Brugia malayi	hypothetical protein	0.0146	0.1313	0.3156
Mycobacterium leprae	PROBABLE CYSTEINE SYNTHASE A CYSK (O-ACETYLSERINE SULFHYDRYLASE A) (O-ACETYLSERINE (THIOL)-LYASE A) (CSASE A)	0.0149	0.1342	0.9735
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1313	0.3155
Leishmania major	serine-threonine dehydratase, putative	0.0037	0.0168	0.0356
Brugia malayi	beta-lactamase family protein	0.0152	0.1377	0.3313
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0152	0.1377	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0241	0.0555
Mycobacterium tuberculosis	Probable hydrolase	0.0152	0.1377	0.1331
Trypanosoma cruzi	hypothetical protein, conserved	0.0152	0.1377	0.3891
Mycobacterium tuberculosis	Tryptophan synthase, beta subunit TrpB	0.0037	0.0168	0.0115
Onchocerca volvulus		0.0152	0.1377	1
Schistosoma mansoni	hypothetical protein	0.0148	0.1334	0.2407
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0158	0.1433	0.407
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0045	0.0251	0.0539
Trypanosoma cruzi	cystathionine beta-synthase	0.0149	0.1342	0.3778
Loa Loa (eye worm)	LGC-31 protein	0.0045	0.0251	0.0579
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0057	0.0377	0.0672
Schistosoma mansoni	hypothetical protein	0.0069	0.0498	0.0898
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0251	0.0453
Echinococcus granulosus	l serine dehydratase:l threonine deaminase	0.0037	0.0168	0.0303
Loa Loa (eye worm)	cbs-prov protein	0.0149	0.1342	0.3224
Leishmania major	cystathionine beta-synthase	0.0149	0.1342	0.3999
Schistosoma mansoni	cysteine synthase	0.0149	0.1342	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Brugia malayi	RNA recognition motif domain containing protein	0.0411	0.4091	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0045	0.0251	0.0453
Trichomonas vaginalis	penicillin-binding protein, putative	0.0152	0.1377	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Entamoeba histolytica	hypothetical protein	0.0075	0.0564	0.4059
Toxoplasma gondii	ABC1 family protein	0.0152	0.1377	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0045	0.0251	0.0539
Echinococcus multilocularis	tar DNA binding protein	0.0411	0.4091	0.738
Echinococcus granulosus	nAChR subunit	0.0024	0.0032	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0053	0.016
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.0457	0.0824
Onchocerca volvulus		0.0045	0.0251	0.1626
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0152	0.1377	0.8449
Loa Loa (eye worm)	hypothetical protein	0.0217	0.2055	0.4953
Brugia malayi	TAR-binding protein	0.0411	0.4091	1
Schistosoma mansoni	hypothetical protein	0.0069	0.0498	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2308	0.5567
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0045	0.0251	0.0453
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0333	0.3276	1
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0034	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Loa Loa (eye worm)	ACC-1 protein	0.0045	0.0251	0.0579
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Brugia malayi	cbs-prov protein	0.0149	0.1342	0.3226
Echinococcus multilocularis	geminin	0.055	0.5544	1
Brugia malayi	Cation transporter family protein	0.0045	0.0251	0.0539
Entamoeba histolytica	hypothetical protein	0.0075	0.0564	0.4059
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0037	0.0168	0.0334
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0053	0.01
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0149	0.1342	0.3778
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1114	0.2672
Entamoeba histolytica	threonine dehydratase, putative	0.0037	0.0168	0.1035
Mycobacterium leprae	Probable tryptophan synthase, beta subunit TrpB	0.0037	0.0168	0.0865
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Onchocerca volvulus		0.0045	0.0251	0.1626
Mycobacterium ulcerans	tryptophan synthase subunit beta	0.0037	0.0168	0.0731
Leishmania major	mitochondrial DNA polymerase beta	0.0333	0.3276	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0251	0.0539
Trypanosoma cruzi	cystathionine beta-synthase, putative	0.0149	0.1342	0.3778
Trypanosoma cruzi	cysteine synthase, putative	0.0149	0.1342	0.3778
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0176	0.162	0.1575
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1114	0.2672
Mycobacterium ulcerans	cysteine synthase	0.0037	0.0168	0.0731
Mycobacterium ulcerans	lipase LipD	0.0152	0.1377	0.8449
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.1377	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0583	0.1383
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.031	0.0684
Echinococcus multilocularis	l serine dehydratase:l threonine deaminase	0.0037	0.0168	0.0303
Trypanosoma cruzi	serine sulfhydrylase	0.0149	0.1342	0.3778
Echinococcus granulosus	glycine receptor subunit beta	0.0045	0.0251	0.0453
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0158	0.1433	0.4281
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0269	0.0326
Trypanosoma cruzi	serine sulfhydrylase	0.0149	0.1342	0.3778
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0045	0.0251	0.0579
Echinococcus granulosus	nAChR subunit	0.0045	0.0251	0.0453
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0217	0.2055	0.4984
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0053	0.01
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0045	0.0251	0.0539
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0152	0.1377	0.2484
Schistosoma mansoni	tar DNA-binding protein	0.0411	0.4091	0.738
Loa Loa (eye worm)	beta-lactamase	0.0152	0.1377	0.3309
Onchocerca volvulus		0.0045	0.0251	0.1626
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0069	0.0498	0.0898
Entamoeba histolytica	cysteine synthase A, putative	0.0149	0.1342	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0045	0.0251	0.0453
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0045	0.0251	0.0579
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0152	0.1377	0.1331
Trypanosoma brucei	cystathionine beta-synthase, putative	0.0149	0.1342	0.3778
Echinococcus multilocularis	glycine receptor subunit beta	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0045	0.0251	0.0453
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0217	0.2055	0.4984
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0214	0.049
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.031	0.0722
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0186	0.0336
Brugia malayi	excitatory GABA receptor EXP-1A	0.0045	0.0251	0.0539
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.031	0.0559
Mycobacterium tuberculosis	Cysteine synthase B CysM (CSASE B) (O-phosphoserine sulfhydrylase B) (O-phosphoserine (thiol)-lyase B)	0.0149	0.1342	0.1296
Schistosoma mansoni	tar DNA-binding protein	0.0411	0.4091	0.738
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0564	0.1017
Echinococcus granulosus	GPCR family 2	0.0069	0.0498	0.0898
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0069	0.0498	0.1178
Toxoplasma gondii	hypothetical protein	0.0054	0.0341	0.1435
Entamoeba histolytica	threonine dehydratase catabolic, putative	0.0037	0.0168	0.1035
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0045	0.0251	0.0453
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0333	0.3276	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0411	0.4091	0.9889
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0045	0.0251	0.0539
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0498	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0149	0.1342	0.3226
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.0037	0.0168	0.0334
Leishmania major	hypothetical protein, conserved	0.0152	0.1377	0.4108
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0045	0.0251	0.0539
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0564	0.1017
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0152	0.1377	0.1331
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0045	0.0251	0.0453
Schistosoma mansoni	neurotransmitter gated ion channel	0.0024	0.0032	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1377	0.3309
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.031	0.0559
Mycobacterium tuberculosis	Probable threonine dehydratase IlvA	0.0037	0.0168	0.0115
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.031	0.0559
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0045	0.0251	0.0579
Echinococcus multilocularis	GPCR, family 2	0.0069	0.0498	0.0898
Mycobacterium tuberculosis	Probable lipase LipD	0.0152	0.1377	0.1331
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0047	0.0269	0.0326
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0045	0.0251	0.0453
Giardia lamblia	Threonine dehydratase lateral transfer candidate	0.0037	0.0168	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0152	0.1377	0.3891
Echinococcus multilocularis	nAChR subunit	0.0024	0.0032	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0032	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1334	0.3206
Mycobacterium ulcerans	hypothetical protein	0.0176	0.162	1
Onchocerca volvulus		0.0045	0.0251	0.1626
Schistosoma mansoni	hypothetical protein	0.055	0.5544	1
Schistosoma mansoni	nAChR subunit	0.0045	0.0251	0.0453
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0053	0.0052
Trichomonas vaginalis	cysteine synthase, putative	0.0149	0.1342	0.9709
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0152	0.1377	0.1331
Mycobacterium ulcerans	hypothetical protein	0.0152	0.1377	0.8449
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0251	0.0579
Entamoeba histolytica	cysteine synthase A, putative	0.0149	0.1342	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.6 nM	Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay	ChEMBL.	21163663
Ki (binding)	= 9.7 nM	Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay	ChEMBL.	21163663
Ki (binding)	= 65 nM	Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay	ChEMBL.	21163663
Ki (binding)	= 66 nM	Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay	ChEMBL.	21163663

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: CHEMBL1644825

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1464434