TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.424 | Formula: C25H19NO2
H donors: 0 H acceptors: 1 LogP: 5.83 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(C)cc(c1)n1cc(c2c1c1ccccc1oc2=O)c1ccccc1
InChi: 1S/C25H19NO2/c1-16-12-17(2)14-19(13-16)26-15-21(18-8-4-3-5-9-18)23-24(26)20-10-6-7-11-22(20)28-25(23)27/h3-15H,1-2H3
InChiKey: DIDRLTMFZKWKSA-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
Bos taurus	GABA-A receptor; anion channel	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	GABA-A receptor; anion channel	555 aa	578 aa	25.8 %
Onchocerca volvulus		GABA-A receptor; anion channel	555 aa	466 aa	31.3 %
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	GABA-A receptor; anion channel	555 aa	583 aa	25.4 %
Onchocerca volvulus		GABA-A receptor; anion channel	555 aa	516 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Leishmania major	GDP-mannose pyrophosphorylase	0.0024	0.0013	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0023	0.001	0.7957
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0023	0.001	0.7957
Loa Loa (eye worm)	nucleotidyl transferase	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0023	0.001	0.7957
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.001	0.7957
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0023	0.001	0.7957
Echinococcus granulosus	glycine receptor subunit beta	0.0023	0.001	0.7957
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0023	0.001	0.7957
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0023	0.001	0.7957
Echinococcus granulosus	mannose 1 phosphate guanyltransferase beta	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Brugia malayi	Cation transporter family protein	0.0023	0.001	0.7957
Brugia malayi	GDP-mannose pyrophosphorylase B	0.0024	0.0013	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Giardia lamblia	Translation initiation factor	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	LGC-31 protein	0.0023	0.001	0.7957
Mycobacterium ulcerans	molybdopterin-guanine dinucleotide biosynthesis protein A	0.0365	0.0962	0.0962
Mycobacterium ulcerans	bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase	0.3617	1	1
Echinococcus multilocularis	mannose 1 phosphate guanyltransferase beta	0.0024	0.0013	1
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU	0.3617	1	1
Onchocerca volvulus		0.0023	0.001	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.001	0.7957
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.3617	1	1
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Brugia malayi	Nucleotidyl transferase family protein	0.0024	0.0013	1
Chlamydia trachomatis	UDP-3-O-acylglucosamine N-acyltransferase	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0023	0.001	0.7957
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0023	0.001	0.7957
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Trypanosoma brucei	nucleotidyl transferase, putative	0.0024	0.0013	1
Onchocerca volvulus	Putative nachr subunit	0.0023	0.001	0.5
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0023	0.001	0.7957
Plasmodium falciparum	mannose-1-phosphate guanyltransferase, putative	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Entamoeba histolytica	translation initiation factor eIF-2B epsilon subunit, putative	0.0024	0.0013	1
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0023	0.001	0.7957
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	GDP-mannose pyrophosphorylase B	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Echinococcus multilocularis	glycine receptor subunit beta	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Onchocerca volvulus		0.0023	0.001	0.5
Brugia malayi	Cation transporter family protein	0.0023	0.001	0.7957
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.001	0.7957
Trypanosoma cruzi	GDP-mannose pyrophosphorylase	0.0024	0.0013	1
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0023	0.001	0.7957
Echinococcus multilocularis	nAChR subunit	0.0023	0.001	0.7957
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Trypanosoma cruzi	Translation initiation factor eIF-2B subunit epsilon, putative	0.0024	0.0013	1
Trypanosoma cruzi	GDP-mannose pyrophosphorylase	0.0024	0.0013	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0365	0.0962	0.0962
Onchocerca volvulus		0.0023	0.001	0.5
Brugia malayi	Cation transporter family protein	0.0023	0.001	0.7957
Onchocerca volvulus		0.0023	0.001	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.001	0.7957
Echinococcus multilocularis	mannose 1 phosphate guanyltransferase	0.0024	0.0013	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Brugia malayi	excitatory GABA receptor EXP-1A	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0023	0.001	0.7957
Schistosoma mansoni	glucosamine-1-phosphate N-acetyltransferase	0.0024	0.0013	1
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0023	0.001	0.7957
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0023	0.001	0.7957
Onchocerca volvulus		0.0023	0.001	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0023	0.001	0.7957
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0023	0.001	0.7957
Mycobacterium ulcerans	hypothetical protein	0.0365	0.0962	0.0962
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Mycobacterium ulcerans	hypothetical protein	0.0365	0.0962	0.0962
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0023	0.001	0.7957
Toxoplasma gondii	eukaryotic initiation factor-2B, gamma subunit, putative	0.0365	0.0962	1
Treponema pallidum	licC protein (licC)	0.0365	0.0962	0.5
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0023	0.001	0.7957
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0023	0.001	0.7957
Trichomonas vaginalis	sugar-1-phosphate guanyl transferase, putative	0.0024	0.0013	1
Toxoplasma gondii	GDP-D-mannose pyrophosphorylase	0.0024	0.0013	0.0137
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0023	0.001	0.7957
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0023	0.001	0.7957
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0023	0.001	0.7957
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.001	0.7957
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0023	0.001	0.7957
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0365	0.0962	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Trichomonas vaginalis	glucose-1-phosphate thymidylyltransferase, putative	0.0024	0.0013	1
Mycobacterium ulcerans	d-alpha-D-mannose-1-phosphate guanylyltransferase ManB	0.0024	0.0013	0.0013
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Echinococcus multilocularis	glycine receptor subunit beta	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Echinococcus granulosus	glycine receptor subunit beta	0.0023	0.001	0.7957
Plasmodium vivax	mannose-1-phosphate guanyltransferase, putative	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit	0.0023	0.001	0.7957
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0023	0.001	0.7957
Trypanosoma brucei	GDP-mannose pyrophosphorylase	0.0024	0.0013	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0023	0.001	0.7957
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.001	0.7957
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Chlamydia trachomatis	acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase	0.0019	0	0.5
Onchocerca volvulus		0.0023	0.001	0.5
Echinococcus granulosus	nAChR subunit	0.0023	0.001	0.7957
Schistosoma mansoni	gdp-mannose pyrophosphorylase b isoform 2	0.0024	0.0013	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.001	0.7957
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0023	0.001	0.7957
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.001	0.7957
Echinococcus granulosus	mannose 1 phosphate guanyltransferase	0.0024	0.0013	1
Schistosoma mansoni	mannose-1-phosphate guanyltransferase	0.0024	0.0013	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0023	0.001	0.7957
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0023	0.001	0.7957
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0023	0.001	0.7957

Activities

Activity type	Activity value	Assay description	Source	Reference
GABA ratio (binding)	= 1.15	Ratio of IC50 of compound to that of compound+10 microM GABA	ChEMBL.	2167984
IC50 (binding)	= 8.6 nM	Affinity to displace [3H]-flunitrazepam from Benzodiazepine receptor in bovine brain membrane	ChEMBL.	2167984
IC50 (binding)	= 8.6 nM	Affinity to displace [3H]-flunitrazepam from Benzodiazepine receptor in bovine brain membrane	ChEMBL.	2167984

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

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 149822