TDR Targets

Basic information

Technical information

TDR Targets ID: 254049
Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(1H-i ndol-3-yl)-2-oxoacetamide
MW: 324.331 | Formula: C18H16N2O4
H donors: 3 H acceptors: 3 LogP: 2.32 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNC(=O)C(=O)c2c[nH]c3c2cccc3)ccc1O
InChi: 1S/C18H16N2O4/c1-24-16-8-11(6-7-15(16)21)9-20-18(23)17(22)13-10-19-14-5-3-2-4-12(13)14/h2-8,10,19,21H,9H2,1H3,(H,20,23)
InChiKey: KOTFZRCPKVQWPP-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

N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-(1H-indol-3-yl)-2-oxo-acetamide
N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-(1H-indol-3-yl)-2-oxo-ethanamide
2-(1H-indol-3-yl)-2-keto-N-vanillyl-acetamide
N-(4-hydroxy-3-methoxy-benzyl)-2-(1H-indol-3-yl)-2-keto-acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, alpha 2	Starlite/ChEMBL	References
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 %
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 %
Onchocerca volvulus		GABA-A receptor; anion channel	555 aa	466 aa	31.3 %
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
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0604	0.0477
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.115	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2761	0.398
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Onchocerca volvulus		0.0038	0.05	0.0721
Toxoplasma gondii	hypothetical protein	0.0041	0.0604	0.0477
Brugia malayi	Cation transporter family protein	0.0038	0.05	0.0721
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0604	0.087
Loa Loa (eye worm)	LGC-31 protein	0.0038	0.05	0.0721
Trypanosoma brucei	oxidoreductase-like protein	0.0029	0.0241	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Loa Loa (eye worm)	oxidoreductase	0.0025	0.0133	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	ACC-1 protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.087
Onchocerca volvulus		0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0041	0.0604	0.087
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0038	0.05	0.0721
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0604	0.087
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.05	0.0721
Echinococcus multilocularis	glycine receptor subunit beta	0.0038	0.05	0.0721
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0243	0.6413	0.9243
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0604	0.087
Trichomonas vaginalis	hypothetical protein	0.0368	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0025	0.0133	0.0192
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0038	0.05	0.0721
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0604	0.087
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0604	0.087
Onchocerca volvulus		0.0038	0.05	0.0721
Onchocerca volvulus		0.0041	0.0604	0.087
Plasmodium falciparum	transporter, putative	0.0041	0.0604	0.0477
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0604	0.087
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.087
Onchocerca volvulus		0.0038	0.05	0.0721
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0604	0.087
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0261	0.6938	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0368	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Echinococcus granulosus	serotonin transporter	0.0243	0.6413	0.9243
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Onchocerca volvulus		0.0041	0.0604	0.087
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0038	0.05	0.0721
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0029	0.0241	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.6938	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Toxoplasma gondii	hypothetical protein	0.0041	0.0604	0.0477
Schistosoma mansoni	dihydropteridine reductase	0.0025	0.0133	0.0192
Brugia malayi	hypothetical protein	0.0105	0.2453	0.3536
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0604	0.087
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0604	0.087
Onchocerca volvulus		0.0261	0.6938	1
Echinococcus granulosus	glycine receptor subunit beta	0.0038	0.05	0.0721
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0243	0.6413	0.9243
Loa Loa (eye worm)	serotonin transporter b	0.0243	0.6413	0.9243
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0025	0.0133	0.0192
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0025	0.0133	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0601	0.0866
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0038	0.05	0.0721
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0025	0.0133	0.0192
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0604	0.087
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0038	0.05	0.0721
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.087
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.05	0.0721
Onchocerca volvulus		0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0261	0.6938	1
Echinococcus granulosus	nAChR subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0261	0.6938	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0192
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0041	0.0604	0.087
Plasmodium vivax	amine transporter, putative	0.0041	0.0604	0.0477
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0604	0.087
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.0261	0.6938	0.6897
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0368	1	1
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0025	0.0133	0.0192
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0604	0.087
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0368	1	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0038	0.05	0.0721
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0025	0.0133	0.0192
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0604	0.087
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.0477
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.05	0.0721
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0601	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0038	0.05	0.0721
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Onchocerca volvulus		0.0025	0.0133	0.0192
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0368	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2761	0.398
Echinococcus multilocularis	translocator protein	0.0261	0.6938	1
Onchocerca volvulus		0.0243	0.6413	0.9243
Onchocerca volvulus	Putative nachr subunit	0.0038	0.05	0.0721
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0038	0.05	0.0721
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0038	0.05	0.0721
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.115	0.1657
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0029	0.0241	0.011
Onchocerca volvulus		0.0261	0.6938	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0038	0.05	0.0721
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0038	0.05	0.0721
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0038	0.05	0.0721
Leishmania major	oxidoreductase-like protein	0.0029	0.0241	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0038	0.05	0.0721
Brugia malayi	Cation transporter family protein	0.0038	0.05	0.0721
Brugia malayi	excitatory GABA receptor EXP-1A	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.087
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0025	0.0133	0.0192
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0041	0.0604	0.0477
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.0477
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0604	0.087
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	norepinephrine transporter	0.0243	0.6413	0.9243
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Echinococcus multilocularis	serotonin transporter	0.0243	0.6413	0.9243
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.006	0.115	0.1657
Schistosoma mansoni	nAChR subunit	0.0038	0.05	0.0721
Echinococcus granulosus	translocator protein	0.0261	0.6938	1
Echinococcus granulosus	glycine receptor subunit beta	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0038	0.05	0.0721
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0604	0.087
Plasmodium falciparum	amino acid transporter, putative	0.0041	0.0604	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0368	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0038	0.05	0.0721
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0038	0.05	0.0721
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0041	0.0604	0.087
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0038	0.05	0.0721
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0025	0.0133	0.0192
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0368	1	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.6938	1
Brugia malayi	MH2 domain containing protein	0.0116	0.2761	0.398
Onchocerca volvulus		0.0261	0.6938	1
Brugia malayi	Cation transporter family protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0243	0.6413	0.9243
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0038	0.05	0.0721
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.115	0.1657
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0029	0.0241	0.011
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0041	0.0604	0.087
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0041	0.0604	0.087
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0601	0.0866
Onchocerca volvulus		0.0041	0.0604	0.087
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0041	0.0604	0.087
Echinococcus multilocularis	nAChR subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0038	0.05	0.0721
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	glycine receptor subunit beta	0.0038	0.05	0.0721
Treponema pallidum	sodium- and chloride- dependent transporter	0.0243	0.6413	0.5
Onchocerca volvulus		0.0038	0.05	0.0721
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0038	0.05	0.0721
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0041	0.0604	0.087
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0038	0.05	0.0721
Mycobacterium ulcerans	short chain dehydrogenase	0.0029	0.0241	0.011
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0038	0.05	0.0721
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0029	0.0241	0.011
Schistosoma mansoni	sodium/chloride dependent transporter	0.0243	0.6413	0.9243
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0243	0.6413	0.9243
Mycobacterium tuberculosis	Probable oxidoreductase	0.0029	0.0241	0.011
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0243	0.6413	0.9243
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0243	0.6413	0.9243
Onchocerca volvulus		0.0261	0.6938	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0038	0.05	0.0721
Loa Loa (eye worm)	ACC-1 protein	0.0038	0.05	0.0721
Brugia malayi	hypothetical protein	0.0041	0.0604	0.087
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0029	0.0241	0.011
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0038	0.05	0.0721
Brugia malayi	TspO/MBR family protein	0.0261	0.6938	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0038	0.05	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0604	0.087
Leishmania major	pteridine reductase 1	0.0029	0.0241	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0604	0.087
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0604	0.087
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0368	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0038	0.05	0.0721
Onchocerca volvulus		0.0029	0.0241	0.0348

Activities

Activity type	Activity value	Assay description	Source	Reference
GABA ratio (binding)	= 1	Gamma AminoButyric Acid(GABA) ratio is the Ki without GABA / Ki with GABA	ChEMBL.	8978839
Inhibition (binding)	= 96 %	In vitro inhibition of [3H]- flunitrazepam binding to GABA-A central benzodiazepine receptor of bovine cortical membranes at 10 uM	ChEMBL.	8978839
Inhibition (binding)	= 96 %	In vitro inhibition of [3H]- flunitrazepam binding to GABA-A central benzodiazepine receptor of bovine cortical membranes at 10 uM	ChEMBL.	8978839
Ki (functional)	= 6.85	The compound was tested for benzodiazepine receptor inverse agonist activity	ChEMBL.	10602702
Ki (binding)	= 140 nM	In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine receptor of bovine cortical membranes	ChEMBL.	8978839
Ki (binding)	= 140 nM	In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine receptor of bovine cortical membranes	ChEMBL.	8978839
Log 1/Ki (functional)	= 6.85	The compound was tested for benzodiazepine receptor inverse agonist activity	ChEMBL.	10602702

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

PubChem: 10592051

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 254049