TDR Targets

Basic information

Technical information

TDR Targets ID: 31795
Name: 3-phenyl-6-pyrrolidin-1-ylpyridazino[4,3-c]is oquinoline
MW: 326.394 | Formula: C21H18N4
H donors: 0 H acceptors: 3 LogP: 4.06 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)c1nnc2c(c1)nc(c1c2cccc1)N1CCCC1
InChi: 1S/C21H18N4/c1-2-8-15(9-3-1)18-14-19-20(24-23-18)16-10-4-5-11-17(16)21(22-19)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2
InChiKey: FRXHUKCFBXGFBN-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

3-phenyl-6-pyrrolidin-1-yl-pyridazino[4,3-c]isoquinoline
3-phenyl-6-(1-pyrrolidinyl)pyridazino[4,3-c]isoquinoline
3-phenyl-6-pyrrolidino-pyridazino[4,3-c]isoquinoline
3-phenyl-6-1-pyrrolidinylpyridazino[4,3-c]isoquinoline

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	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
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	494 aa	25.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	468 aa	28.6 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	446 aa	29.1 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	GABA-A receptor; anion channel	467 aa	433 aa	34.6 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	GABA-A receptor; anion channel	467 aa	496 aa	26.0 %
Echinococcus multilocularis	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	478 aa	28.7 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	434 aa	26.7 %
Brugia malayi	Cation transporter family protein	GABA-A receptor; anion channel	467 aa	453 aa	28.5 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	GABA-A receptor; anion channel	467 aa	418 aa	19.6 %
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	GABA-A receptor; anion channel	467 aa	479 aa	29.2 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	441 aa	33.8 %
Echinococcus granulosus	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Echinococcus granulosus	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	439 aa	29.6 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	454 aa	29.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	454 aa	30.4 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	447 aa	25.7 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	GABA-A receptor; anion channel	467 aa	453 aa	26.9 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	461 aa	27.8 %
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		GABA-A receptor; anion channel	467 aa	446 aa	28.0 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	GABA-A receptor; anion channel	467 aa	384 aa	19.5 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	375 aa	21.9 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	GABA-A receptor; anion channel	467 aa	379 aa	19.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Papain family cysteine protease containing protein	0.0095	0.0225	0.0225
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0228	0.2217	0.2038
Onchocerca volvulus	Cathepsin L homolog	0.0423	0.5138	1
Onchocerca volvulus		0.0423	0.5138	1
Plasmodium vivax	vivapain-2	0.0423	0.5138	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0095	0.0225	0.0225
Giardia lamblia	Cathepsin B precursor	0.0297	0.3248	1
Plasmodium vivax	unspecified product	0.0228	0.2217	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase	0.0095	0.0225	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Brugia malayi	Cathepsin L-like precursor	0.029	0.3146	0.3146
Echinococcus granulosus	cathepsin L cysteine protease	0.0228	0.2217	0.2038
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0749	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Plasmodium vivax	vivapain-1	0.0228	0.2217	0.4054
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0297	0.3248	0.5568
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0423	0.5138	0.5026
Toxoplasma gondii	cathepsin CPL	0.0423	0.5138	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0423	0.5138	0.5138
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0423	0.5138	0.5026
Loa Loa (eye worm)	hypothetical protein	0.0187	0.1599	0.1599
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0297	0.3248	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.0423	0.5138	0.5026
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Brugia malayi	Papain family cysteine protease containing protein	0.0228	0.2217	0.2217
Plasmodium vivax	vivapain-3	0.0228	0.2217	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0423	0.5138	0.5138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0297	0.3248	0.3093
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0228	0.2217	0.2038
Brugia malayi	cathepsin L-like precursor	0.029	0.3146	0.3146
Giardia lamblia	Cathepsin B precursor	0.0297	0.3248	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0133	0.0803	0.0591
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Loa Loa (eye worm)	cysteine protease	0.0423	0.5138	0.5138
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Brugia malayi	Cathepsin L-like precursor	0.029	0.3146	0.3146
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0228	0.2217	0.2038
Toxoplasma gondii	cathepsin B	0.0297	0.3248	0.6153
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1429	0.1429
Onchocerca volvulus		0.0423	0.5138	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0423	0.5138	0.5026
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.0874	0.0664
Onchocerca volvulus		0.0187	0.1599	0.2796
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0297	0.3248	0.6153
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.317	0.3013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.2217	0.3149
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Leishmania major	mitochondrial DNA polymerase beta	0.0292	0.317	0.5385
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0297	0.3248	0.5568
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0175	0.1429	0.1231
Echinococcus multilocularis	cathepsin b	0.0749	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0749	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Echinococcus multilocularis	cysteine protease	0.0423	0.5138	0.5026
Onchocerca volvulus		0.0423	0.5138	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0608	0.7903	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0095	0.0225	0.0225
Entamoeba histolytica	cysteine proteinase 2	0.0228	0.2217	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.029	0.3146	0.2989
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0803	0.0803
Echinococcus multilocularis	cathepsin L cysteine protease	0.0423	0.5138	0.5026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0423	0.5138	0.5026
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0423	0.5138	0.5138
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0423	0.5138	0.5026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.2217	0.3149
Loa Loa (eye worm)	cathepsin B	0.0297	0.3248	0.3248
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0175	0.1429	0.1231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.3146	0.5946
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0423	0.5138	0.5026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0228	0.2217	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0228	0.2217	0.2038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Brugia malayi	Papain family cysteine protease containing protein	0.0423	0.5138	0.5138
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0133	0.0803	0.0803
Brugia malayi	Papain family cysteine protease containing protein	0.0095	0.0225	0.0225
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Echinococcus granulosus	cathepsin b	0.0749	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.2217	0.4054
Onchocerca volvulus	Cathepsin F homolog	0.0423	0.5138	1
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.2217	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.029	0.3146	0.2989
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0749	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.2217	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.3146	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0749	1	1
Brugia malayi	cathepsin L precursor	0.0095	0.0225	0.0225
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Onchocerca volvulus		0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0749	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0228	0.2217	0.2038
Schistosoma mansoni	cathepsin F (C01 family)	0.0423	0.5138	0.5026
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Plasmodium vivax	unspecified product	0.0133	0.0803	0.1176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.3146	0.3146
Loa Loa (eye worm)	hypothetical protein	0.029	0.3146	0.3146
Brugia malayi	cathepsin F-like cysteine proteinase	0.0133	0.0803	0.0803
Brugia malayi	Papain family cysteine protease containing protein	0.0228	0.2217	0.2217
Echinococcus granulosus	cysteine protease	0.0228	0.2217	0.2038
Loa Loa (eye worm)	fibroinase	0.0423	0.5138	0.5138
Entamoeba histolytica	cysteine proteinase, putative	0.029	0.3146	0.5946
Onchocerca volvulus	Cathepsin L homolog	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0608	0.7903	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0423	0.5138	0.5026
Onchocerca volvulus		0.0423	0.5138	1
Entamoeba histolytica	cysteine proteinase, putative	0.0423	0.5138	1
Echinococcus multilocularis	cathepsin b	0.0749	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Trypanosoma cruzi	cysteine protease, putative	0.0228	0.2217	0.2038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Echinococcus multilocularis	cysteine protease	0.0423	0.5138	0.5026
Echinococcus multilocularis	cathepsin L cysteine protease	0.0423	0.5138	0.5026
Schistosoma mansoni	cathepsin s	0.0133	0.0803	0.0591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0228	0.2217	0.2038
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.2217	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0423	0.5138	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0133	0.0803	0.0591
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.2217	0.4054
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0175	0.1429	0.1231
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine proteinase, putative	0.0423	0.5138	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0228	0.2217	0.2038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Onchocerca volvulus		0.029	0.3146	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0095	0.0225	0.0225
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0095	0.0225	0.0225
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0095	0.0225	0.0225
Leishmania major	cysteine peptidase A (CPA)	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0803	0.0803
Echinococcus granulosus	cathepsin l1	0.0423	0.5138	0.5026
Brugia malayi	Cathepsin L-like cysteine proteinase	0.029	0.3146	0.3146
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.054	0.6883	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0228	0.2217	0.4054
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.317	0.3013
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0095	0.0225	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0423	0.5138	1
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Echinococcus multilocularis	cathepsin L	0.0228	0.2217	0.2038
Brugia malayi	SWIRM domain containing protein	0.0187	0.1599	0.1599
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Brugia malayi	Papain family cysteine protease containing protein	0.0095	0.0225	0.0225
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0803	0.0803
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0225	0.0225
Brugia malayi	Cathepsin L-like precursor	0.0133	0.0803	0.0803
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0133	0.0803	0.0803
Leishmania major	cathepsin L-like protease	0.0423	0.5138	1
Loa Loa (eye worm)	hypothetical protein	0.0749	1	1
Brugia malayi	fibroinase precursor	0.0095	0.0225	0.0225
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.2217	0.4054
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0292	0.317	0.5385
Trypanosoma cruzi	cysteine peptidase, putative	0.0423	0.5138	0.5026
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Plasmodium vivax	vivapain-2	0.0423	0.5138	1
Echinococcus granulosus	cathepsin b	0.0749	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0095	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1429	0.1429
Echinococcus granulosus	cathepsin L	0.0228	0.2217	0.2038
Onchocerca volvulus		0.0423	0.5138	1
Loa Loa (eye worm)	ctsf protein	0.0423	0.5138	0.5138
Giardia lamblia	Cathepsin B precursor	0.0297	0.3248	1
Echinococcus granulosus	cathepsin l1	0.029	0.3146	0.2989
Brugia malayi	Cathepsin L-like precursor	0.0423	0.5138	0.5138
Schistosoma mansoni	cathepsin F (C01 family)	0.0423	0.5138	0.5026
Entamoeba histolytica	cysteine protease, putative	0.0228	0.2217	0.4054
Loa Loa (eye worm)	hypothetical protein	0.029	0.3146	0.3146
Onchocerca volvulus		0.0423	0.5138	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 50 mg kg-1	Anticonvulsant activity against prevention of tonic extensor seizures in 50% mice in the presence of metrazole (ip administration)	ChEMBL.	2993620
ED50 (functional)	> 50 mg kg-1	Anticonvulsant activity against prevention of tonic extensor seizures in 50% mice in the presence of bicuculline (ip administration)	ChEMBL.	2993620
ED50 (functional)	> 50 mg kg-1	Anticonvulsant activity against prevention of tonic extensor seizures in 50% mice in the presence of metrazole (ip administration)	ChEMBL.	2993620
ED50 (functional)	> 50 mg kg-1	Anticonvulsant activity against prevention of tonic extensor seizures in 50% mice in the presence of bicuculline (ip administration)	ChEMBL.	2993620
GABA ratio (binding)	= 1.6	Relative binding to GABA-A central benzodiazepine receptor in the presence and absence of 10e-4 M GABA (GABA shift)	ChEMBL.	2993620
GABA ratio (binding)	= 1.6	Relative binding to GABA-A central benzodiazepine receptor in the presence and absence of 10e-4 M GABA (GABA shift)	ChEMBL.	2993620
Ki (binding)	= 11.4 nM	In vitro binding affinity against benzodiazepine receptor using [3H]-diazepam as radioligand	ChEMBL.	2993620
Ki (binding)	= 11.4 nM	In vitro binding affinity against benzodiazepine receptor using [3H]-diazepam as radioligand	ChEMBL.	2993620
LD50 (ADMET)	= 300 mg kg-1	Lethal dose of the compound analysed when administered intraperitoneally	ChEMBL.	2993620
LD50 (ADMET)	= 300 mg kg-1	Lethal dose of the compound analysed when administered intraperitoneally	ChEMBL.	2993620
MED (functional)	= 5 mg kg-1	In vivo minimal effective dose for anticonflict activity by intraperitoneal administration in rats by the Vogel conflict procedure.	ChEMBL.	2993620

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: CHEMBL25258
PubChem: 13526627

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 31795