TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 275.28 | Formula: C17H10FN3
H donors: 2 H acceptors: 1 LogP: 3.65 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)[nH]c1c2[nH]cc2c1c1ccccc1n2
InChi: 1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,19,21H
InChiKey: IAIZAMKHEDKXAK-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
Rattus norvegicus	GABA-A receptor; anion channel	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, 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, alpha 5		References
Homo sapiens	gamma-aminobutyric acid (GABA) A receptor, alpha 6		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_131775	All targets in OG5_131775
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_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
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	GABA-A receptor; anion channel	467 aa	379 aa	19.3 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	GABA-A receptor; anion channel	467 aa	433 aa	34.6 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	446 aa	28.0 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	446 aa	29.1 %
Echinococcus granulosus	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	439 aa	29.6 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	454 aa	30.4 %
Brugia malayi	Cation transporter family protein	GABA-A receptor; anion channel	467 aa	453 aa	28.5 %
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 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	441 aa	33.8 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	468 aa	28.6 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	375 aa	21.9 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	447 aa	25.7 %
Echinococcus multilocularis	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	478 aa	28.7 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	GABA-A receptor; anion channel	467 aa	496 aa	26.0 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	454 aa	29.5 %
Brugia malayi	excitatory GABA receptor EXP-1A	gamma-aminobutyric acid (GABA) A receptor, alpha 5	462 aa	447 aa	28.0 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	434 aa	26.7 %
Echinococcus multilocularis	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	435 aa	29.7 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	GABA-A receptor; anion channel	467 aa	453 aa	26.9 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	GABA-A receptor; anion channel	467 aa	418 aa	19.6 %
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 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	494 aa	25.5 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	461 aa	27.8 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	gamma-aminobutyric acid (GABA) A receptor, alpha 6	453 aa	474 aa	28.5 %
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	GABA-A receptor; anion channel	467 aa	479 aa	29.2 %
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 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	GABA-A receptor; anion channel	467 aa	384 aa	19.5 %
Echinococcus granulosus	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Brugia malayi	excitatory GABA receptor EXP-1A	gamma-aminobutyric acid (GABA) A receptor, alpha 3	492 aa	437 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0702	0.0571	0.0571
Leishmania major	cysteine peptidase A (CPA)	0.2129	0.449	0.4363
Toxoplasma gondii	cathepsin B	0.162	0.3093	0.6742
Plasmodium vivax	vivapain-2	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Loa Loa (eye worm)	hypothetical protein	0.0672	0.0489	0.0489
Plasmodium vivax	unspecified product	0.1166	0.1845	0.4109
Entamoeba histolytica	cysteine proteinase, putative	0.1166	0.1845	0.4109
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0672	0.0489	0.0489
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Leishmania major	cathepsin L-like protease	0.2786	0.6296	1
Echinococcus granulosus	cathepsin L cysteine protease	0.1166	0.1845	0.1845
Loa Loa (eye worm)	cathepsin B	0.162	0.3093	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0613	0.0328	0.073
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0567	0.0201	0.0447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Echinococcus granulosus	cysteine protease	0.1166	0.1845	0.1845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Loa Loa (eye worm)	hypothetical protein	0.0498	0.0012	0.0012
Echinococcus multilocularis	cysteine protease	0.2129	0.449	0.449
Echinococcus multilocularis	cathepsin b	0.4135	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Loa Loa (eye worm)	hypothetical protein	0.0672	0.0489	0.0489
Entamoeba histolytica	cysteine proteinase, putative	0.1166	0.1845	0.4109
Trypanosoma cruzi	cruzipain precursor, putative	0.0672	0.0489	0.0489
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Trypanosoma cruzi	cysteine peptidase, putative	0.2786	0.6296	0.6296
Trypanosoma cruzi	cysteine peptidase, putative	0.2786	0.6296	0.6296
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0702	0.0571	0.0571
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0686	0.0528	0.1177
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0686	0.0528	0.1709
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2129	0.449	0.449
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0672	0.0489	0.0489
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Loa Loa (eye worm)	hypothetical protein	0.4135	1	1
Giardia lamblia	Cathepsin B precursor	0.0702	0.0571	0.1847
Trypanosoma cruzi	cysteine proteinase, putative	0.1166	0.1845	0.1845
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0686	0.0528	0.0528
Entamoeba histolytica	cysteine proteinase 2	0.1166	0.1845	0.4109
Loa Loa (eye worm)	ctsf protein	0.2129	0.449	0.449
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0702	0.0571	0.1273
Toxoplasma gondii	cathepsin CPL	0.2129	0.449	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.2115	0.4451	0.4451
Echinococcus multilocularis	cathepsin L cysteine protease	0.2129	0.449	0.449
Loa Loa (eye worm)	fibroinase	0.2129	0.449	0.449
Giardia lamblia	Cathepsin B precursor	0.162	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2129	0.449	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4135	1	1
Leishmania major	cathepsin L-like protease	0.2786	0.6296	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2129	0.449	0.449
Entamoeba histolytica	cysteine proteinase, putative	0.1457	0.2645	0.5891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Giardia lamblia	Encystation-specific protease	0.0567	0.0201	0.0648
Trypanosoma cruzi	cysteine proteinase, putative	0.1166	0.1845	0.1845
Entamoeba histolytica	cysteine proteinase, putative	0.1166	0.1845	0.4109
Echinococcus granulosus	cathepsin l1	0.1457	0.2645	0.2645
Echinococcus multilocularis	cathepsin L	0.1166	0.1845	0.1845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Onchocerca volvulus	Cathepsin F homolog	0.2129	0.449	1
Onchocerca volvulus	Cathepsin L homolog	0.2129	0.449	1
Schistosoma mansoni	cathepsin F (C01 family)	0.2129	0.449	0.449
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Onchocerca volvulus		0.2129	0.449	1
Onchocerca volvulus		0.1457	0.2645	0.5891
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0702	0.0571	0.0571
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0567	0.0201	0.0447
Trypanosoma brucei	cysteine peptidase C (CPC)	0.162	0.3093	0.2803
Onchocerca volvulus		0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Onchocerca volvulus	Cathepsin L homolog	0.2129	0.449	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1166	0.1845	0.1845
Brugia malayi	Papain family cysteine protease containing protein	0.1166	0.1845	0.1845
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.1166	0.1845	0.1845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Schistosoma mansoni	cathepsin s	0.0672	0.0489	0.0489
Leishmania major	cathepsin L-like protease	0.2129	0.449	0.4363
Toxoplasma gondii	cathepsin CPC1	0.0686	0.0528	0.0765
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0702	0.0571	0.1273
Brugia malayi	Cathepsin L-like precursor	0.1457	0.2645	0.2645
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.162	0.3093	0.3093
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Brugia malayi	cathepsin L-like precursor	0.1457	0.2645	0.2645
Plasmodium falciparum	cysteine proteinase falcipain 1	0.1166	0.1845	0.4109
Giardia lamblia	Cathepsin B precursor	0.162	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0672	0.0489	0.0489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1457	0.2645	0.2645
Echinococcus granulosus	cathepsin b	0.4135	1	1
Loa Loa (eye worm)	hypothetical protein	0.1457	0.2645	0.2645
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Loa Loa (eye worm)	hypothetical protein	0.0672	0.0489	0.0489
Echinococcus granulosus	cathepsin L	0.1166	0.1845	0.1845
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1166	0.1845	0.4109
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0686	0.0528	0.1177
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1457	0.2645	0.5891
Giardia lamblia	Cathepsin B precursor	0.162	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1166	0.1845	0.4109
Trypanosoma cruzi	cruzipain precursor, putative	0.2786	0.6296	0.6296
Schistosoma mansoni	cathepsin F (C01 family)	0.2129	0.449	0.449
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0686	0.0528	0.0765
Brugia malayi	Cathepsin L-like precursor	0.0672	0.0489	0.0489
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Echinococcus multilocularis	cysteine protease	0.2129	0.449	0.449
Plasmodium vivax	vivapain-1	0.1166	0.1845	0.4109
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2129	0.449	0.449
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Trypanosoma cruzi	major cysteine proteinase, putative	0.1151	0.1805	0.1805
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4135	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2129	0.449	0.449
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1166	0.1845	0.1845
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Onchocerca volvulus		0.2129	0.449	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4135	1	1
Plasmodium vivax	vivapain-3	0.1166	0.1845	0.4109
Leishmania major	cathepsin L-like protease	0.2786	0.6296	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0567	0.0201	0.0648
Trypanosoma cruzi	cysteine protease, putative	0.1166	0.1845	0.1845
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.162	0.3093	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Brugia malayi	Cathepsin L-like precursor	0.1457	0.2645	0.2645
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Echinococcus granulosus	cathepsin b	0.4135	1	1
Plasmodium vivax	unspecified product	0.0672	0.0489	0.1088
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Onchocerca volvulus		0.2129	0.449	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2786	0.6296	0.6296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2786	0.6296	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1166	0.1845	0.1845
Entamoeba histolytica	cysteine proteinase, putative	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1457	0.2645	0.5891
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Schistosoma mansoni	cathepsin F (C01 family)	0.1457	0.2645	0.2645
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2129	0.449	1
Brugia malayi	Papain family cysteine protease containing protein	0.2129	0.449	0.449
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.4135	1	1
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Brugia malayi	cathepsin F-like cysteine proteinase	0.0672	0.0489	0.0489
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0686	0.0528	0.1177
Entamoeba histolytica	cysteine proteinase, putative	0.2129	0.449	1
Onchocerca volvulus		0.2129	0.449	1
Leishmania major	cathepsin L-like protease	0.2129	0.449	0.4363
Loa Loa (eye worm)	hypothetical protein	0.2129	0.449	0.449
Echinococcus multilocularis	cathepsin L cysteine protease	0.2129	0.449	0.449
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2129	0.449	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2129	0.449	0.449
Plasmodium vivax	vivapain-2	0.2129	0.449	1
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.4135	1	1
Echinococcus multilocularis	cathepsin b	0.4135	1	1
Entamoeba histolytica	cysteine protease, putative	0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2129	0.449	1
Leishmania major	cathepsin L-like protease	0.2129	0.449	0.4363
Loa Loa (eye worm)	cysteine protease	0.2129	0.449	0.449
Loa Loa (eye worm)	hypothetical protein	0.1457	0.2645	0.2645
Entamoeba histolytica	cysteine protease, putative	0.1166	0.1845	0.4109
Echinococcus granulosus	cathepsin l1	0.2129	0.449	0.449
Onchocerca volvulus		0.2129	0.449	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0702	0.0571	0.1273
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0567	0.0201	0.0648
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2129	0.449	1
Brugia malayi	Cathepsin L-like precursor	0.2129	0.449	0.449
Leishmania major	cathepsin L-like protease	0.2129	0.449	0.4363
Entamoeba histolytica	cysteine proteinase, putative	0.1166	0.1845	0.4109
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2129	0.449	0.449
Leishmania major	cathepsin L-like protease	0.2129	0.449	0.4363
Entamoeba histolytica	cysteine proteinase 1, putative	0.1166	0.1845	0.4109
Brugia malayi	Papain family cysteine protease containing protein	0.1166	0.1845	0.1845
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2129	0.449	1
Loa Loa (eye worm)	hypothetical protein	0.1457	0.2645	0.2645
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0686	0.0528	0.1177
Trypanosoma cruzi	cysteine peptidase, putative	0.2129	0.449	0.449
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0702	0.0571	0.1273
Onchocerca volvulus		0.2129	0.449	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1166	0.1845	0.1845
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.162	0.3093	0.6888

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 30 mg kg-1	Convulsant effects in mice treated with PTZ (40 mg/kg) dose	ChEMBL.	2167978
ED50 (functional)	> 30 mg kg-1	Antagonism of diazepam (2.5 mg/kg) anticonvulsant effects in mice treated with PTZ (80 mg/kg)	ChEMBL.	2167978
ED50 (functional)	> 30 mg kg-1	Convulsant effects in mice treated with PTZ (40 mg/kg) dose	ChEMBL.	2167978
ED50 (functional)	> 30 mg kg-1	Antagonism of diazepam (2.5 mg/kg) anticonvulsant effects in mice treated with PTZ (80 mg/kg)	ChEMBL.	2167978
IC50 (binding)	= 7 nM	In vitro potency measured against [3H]-diazepam at the benzodiazepine receptor in rat	ChEMBL.	2167978
IC50 (binding)	= 7 nM	Inhibition of [3H]-diazepam binding to GABA-A benzodiazepine receptor of rat cerebral cortical membranes	ChEMBL.	3029372
IC50 (binding)	= 7 nM	In vitro potency measured against [3H]-diazepam at the benzodiazepine receptor in rat	ChEMBL.	2167978
IC50 (binding)	= 7 nM	Inhibition of [3H]-diazepam binding to GABA-A benzodiazepine receptor of rat cerebral cortical membranes	ChEMBL.	3029372
Ki (binding)	= 5.1 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 5.1 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha1-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 10.4 nM	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 10.4 nM	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha2-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 18.4 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 18.4 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha3-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 260 nM	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha5-beta3-gamma2	ChEMBL.	10633039
Ki (binding)	= 260 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
logP (ADMET)	= 4.01	Partition coefficient (logP)	ChEMBL.	2167978

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: CHEMBL79945

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 132589