TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.604 | Formula: C10H16ClIN2O
H donors: 0 H acceptors: 1 LogP: 2.7 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cn1)OCC[N+](C)(C)C.[I-]
InChi: 1S/C10H16ClN2O.HI/c1-13(2,3)6-7-14-9-4-5-10(11)12-8-9;/h4-5,8H,6-7H2,1-3H3;1H/q+1;/p-1
InChiKey: RICWNBDJUPAMCZ-UHFFFAOYSA-M

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
Rattus norvegicus	Neuronal acetylcholine receptor	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
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Neuronal acetylcholine receptor	452 aa	471 aa	40.1 %
Loa Loa (eye worm)	hypothetical protein	Neuronal acetylcholine receptor	452 aa	458 aa	34.7 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Neuronal acetylcholine receptor	452 aa	497 aa	37.4 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Neuronal acetylcholine receptor	452 aa	458 aa	40.2 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Neuronal acetylcholine receptor	452 aa	504 aa	40.7 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-3 precursor, putative	Neuronal acetylcholine receptor	452 aa	364 aa	27.7 %
Schistosoma mansoni	nAChR subunit	Neuronal acetylcholine receptor	452 aa	370 aa	34.3 %
Onchocerca volvulus	Putative zinc finger protein	Neuronal acetylcholine receptor	452 aa	506 aa	38.1 %
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Neuronal acetylcholine receptor	452 aa	485 aa	34.8 %
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	Neuronal acetylcholine receptor	452 aa	495 aa	39.0 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	504 aa	36.7 %
Echinococcus multilocularis	nAChR subunit	Neuronal acetylcholine receptor	452 aa	467 aa	28.5 %
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	Neuronal acetylcholine receptor	452 aa	460 aa	38.9 %
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	Neuronal acetylcholine receptor	452 aa	373 aa	32.4 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Neuronal acetylcholine receptor	452 aa	483 aa	21.9 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	460 aa	38.7 %
Echinococcus multilocularis	glycine receptor subunit alpha 1	Neuronal acetylcholine receptor	452 aa	377 aa	22.5 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	463 aa	34.8 %
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	Neuronal acetylcholine receptor	452 aa	384 aa	41.1 %
Onchocerca volvulus	39S ribosomal protein L13, mitochondrial homolog	Neuronal acetylcholine receptor	452 aa	485 aa	34.2 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Neuronal acetylcholine receptor	452 aa	471 aa	40.1 %
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	Neuronal acetylcholine receptor	452 aa	458 aa	33.0 %
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	Neuronal acetylcholine receptor	452 aa	471 aa	35.9 %
Brugia malayi	Cation transporter family protein	Neuronal acetylcholine receptor	452 aa	472 aa	33.9 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	462 aa	36.6 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	471 aa	35.0 %
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Neuronal acetylcholine receptor	452 aa	476 aa	32.6 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Neuronal acetylcholine receptor	452 aa	441 aa	34.9 %
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	Neuronal acetylcholine receptor	452 aa	387 aa	31.8 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	478 aa	29.7 %
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	Neuronal acetylcholine receptor	452 aa	459 aa	32.2 %
Loa Loa (eye worm)	hypothetical protein	Neuronal acetylcholine receptor	452 aa	493 aa	39.8 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Neuronal acetylcholine receptor	452 aa	497 aa	37.2 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	372 aa	20.7 %
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Neuronal acetylcholine receptor	452 aa	487 aa	33.7 %
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	Neuronal acetylcholine receptor	452 aa	387 aa	31.5 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	434 aa	34.3 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	Neuronal acetylcholine receptor	452 aa	473 aa	35.7 %
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Neuronal acetylcholine receptor	452 aa	444 aa	33.3 %
Onchocerca volvulus		Neuronal acetylcholine receptor	452 aa	463 aa	34.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0577	0.5334	0.5334
Brugia malayi	cathepsin L-like precursor	0.0395	0.3171	0.3171
Echinococcus granulosus	cathepsin l1	0.0577	0.5334	0.5334
Loa Loa (eye worm)	hypothetical protein	0.0577	0.5334	0.5334
Echinococcus multilocularis	cysteine protease	0.0577	0.5334	0.5334
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0971	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.031	0.2162	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Entamoeba histolytica	cysteine proteinase, putative	0.0577	0.5334	1
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Loa Loa (eye worm)	cathepsin B	0.0388	0.3093	0.3093
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0182	0.0646	0.0646
Onchocerca volvulus		0.0577	0.5334	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0395	0.3171	0.3171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma cruzi	cysteine proteinase, putative	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.031	0.2162	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Trypanosoma cruzi	cysteine peptidase, putative	0.0182	0.0646	0.0646
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.031	0.2162	0.2162
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0646	0.0646
Onchocerca volvulus		0.0577	0.5334	1
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0577	0.5334	1
Toxoplasma gondii	cathepsin B	0.0388	0.3093	0.5798
Brugia malayi	Cathepsin L-like precursor	0.0182	0.0646	0.0646
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0577	0.5334	0.5334
Onchocerca volvulus		0.0577	0.5334	1
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3171	0.3171
Plasmodium vivax	vivapain-2	0.0577	0.5334	1
Plasmodium vivax	vivapain-1	0.031	0.2162	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0395	0.3171	0.3171
Echinococcus multilocularis	cathepsin L cysteine protease	0.0577	0.5334	0.5334
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.031	0.2162	0.2162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Echinococcus granulosus	cysteine protease	0.031	0.2162	0.2162
Loa Loa (eye worm)	hypothetical protein	0.0971	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Plasmodium vivax	unspecified product	0.031	0.2162	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0395	0.3171	0.3171
Loa Loa (eye worm)	ctsf protein	0.0577	0.5334	0.5334
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Loa Loa (eye worm)	cysteine protease	0.0577	0.5334	0.5334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0577	0.5334	0.5334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Brugia malayi	Cathepsin L-like precursor	0.0395	0.3171	0.3171
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0388	0.3093	0.5798
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0577	0.5334	0.5334
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Brugia malayi	Papain family cysteine protease containing protein	0.031	0.2162	0.2162
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Onchocerca volvulus		0.0577	0.5334	1
Echinococcus multilocularis	cysteine protease	0.0577	0.5334	0.5334
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0388	0.3093	0.2934
Echinococcus granulosus	cathepsin L	0.031	0.2162	0.2162
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Entamoeba histolytica	cysteine proteinase 2	0.031	0.2162	0.4054
Onchocerca volvulus		0.0577	0.5334	1
Onchocerca volvulus	Cathepsin L homolog	0.0577	0.5334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Onchocerca volvulus		0.0577	0.5334	1
Brugia malayi	Papain family cysteine protease containing protein	0.031	0.2162	0.2162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Trypanosoma cruzi	cysteine proteinase, putative	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Entamoeba histolytica	cysteine protease, putative	0.0577	0.5334	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0182	0.0646	0.0646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Giardia lamblia	Cathepsin B precursor	0.0388	0.3093	1
Onchocerca volvulus	Cathepsin F homolog	0.0577	0.5334	1
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0971	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.031	0.2162	0.4054
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Echinococcus granulosus	cathepsin b	0.0971	1	1
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0577	0.5334	0.5334
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Entamoeba histolytica	cysteine proteinase, putative	0.031	0.2162	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0182	0.0646	0.0646
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0577	0.5334	0.5334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Echinococcus multilocularis	cathepsin b	0.0971	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0395	0.3171	0.5946
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0577	0.5334	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0577	0.5334	0.5334
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0577	0.5334	0.5334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0395	0.3171	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.031	0.2162	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0577	0.5334	0.5334
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0646	0.0646
Trypanosoma cruzi	cysteine protease, putative	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Onchocerca volvulus		0.0395	0.3171	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Echinococcus multilocularis	cathepsin L	0.031	0.2162	0.2162
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0577	0.5334	0.5334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.031	0.2162	0.4054
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Echinococcus granulosus	cathepsin L cysteine protease	0.031	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0971	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0577	0.5334	0.5334
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0577	0.5334	1
Giardia lamblia	Cathepsin B precursor	0.0388	0.3093	1
Echinococcus granulosus	cathepsin b	0.0971	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Plasmodium vivax	vivapain-3	0.031	0.2162	0.4054
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0182	0.0646	0.0646
Echinococcus multilocularis	cathepsin b	0.0971	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0388	0.3093	0.3093
Toxoplasma gondii	cathepsin CPL	0.0577	0.5334	1
Plasmodium vivax	vivapain-2	0.0577	0.5334	1
Loa Loa (eye worm)	fibroinase	0.0577	0.5334	0.5334
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.031	0.2162	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0577	0.5334	0.5334
Schistosoma mansoni	cathepsin s	0.0182	0.0646	0.0646
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Onchocerca volvulus		0.0577	0.5334	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0388	0.3093	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0395	0.3171	0.3171
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Leishmania major	cathepsin L-like protease	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Echinococcus granulosus	cathepsin l1	0.0395	0.3171	0.3171
Plasmodium vivax	unspecified product	0.0182	0.0646	0.1211
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0971	1	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0646	0.0646
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0971	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0577	0.5334	0.5334
Onchocerca volvulus	Cathepsin L homolog	0.0577	0.5334	1
Giardia lamblia	Cathepsin B precursor	0.0388	0.3093	1
Entamoeba histolytica	cysteine proteinase, putative	0.031	0.2162	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0577	0.5334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0577	0.5334	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3171	0.3171
Leishmania major	cysteine peptidase A (CPA)	0.0577	0.5334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0577	0.5334	0.5334
Entamoeba histolytica	cysteine proteinase, putative	0.0395	0.3171	0.5946
Trypanosoma cruzi	cruzipain precursor, putative	0.0577	0.5334	0.5334
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3171	0.3171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0577	0.5334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0577	0.5334	0.5334
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0577	0.5334	1
Entamoeba histolytica	cysteine protease, putative	0.031	0.2162	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.031	0.2162	0.2162

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.3 nM	Binding affinity of the compound towards nicotinic acetylcholine receptor (nACh) using [3H]-(-)-nicotine as radioligand in rat brain	ChEMBL.	14611857
Ki (binding)	= 1.3 nM	Binding affinity of the compound towards nicotinic acetylcholine receptor (nACh) using [3H]-(-)-nicotine as radioligand in rat brain	ChEMBL.	14611857
MPE (functional)	= 4 %	Antinociceptive response as maximal possible effect of the compound upon intrathecal administration in mouse at the dose of 15 mg/kg	ChEMBL.	14611857
MPE (functional)	= 4 %	Antinociceptive response as maximal possible effect of the compound upon intrathecal administration in mouse at the dose of 15 mg/kg	ChEMBL.	14611857
MPE (functional)	= 5 %	Antinociceptive response as maximal possible effect of the compound upon subcutaneous administration in mice at the dose of 10 mg/kg	ChEMBL.	14611857
MPE (functional)	= 5 %	Antinociceptive response as maximal possible effect of the compound upon subcutaneous administration in mice at the dose of 10 mg/kg	ChEMBL.	14611857

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: CHEMBL330212

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 163340