TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 180.204 | Formula: C9H12N2O2
H donors: 2 H acceptors: 2 LogP: 0.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cncc(c1)OC[C@H]1CCN1
InChi: 1S/C9H12N2O2/c12-8-3-9(5-10-4-8)13-6-7-1-2-11-7/h3-5,7,11-12H,1-2,6H2/t7-/m1/s1
InChiKey: KMEVIWZIHWXXGI-SSDOTTSWSA-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
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0028	0.0442	0.0442
Entamoeba histolytica	proteasome subunit alpha type 2-A, putative	0.0028	0.0442	0.0094
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0028	0.0442	0.0094
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0232	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0352	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1128	0.1085
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0051	0.1552	0.1243
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0028	0.0442	0.0239
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0051	0.1552	0.151
Schistosoma mansoni	chromobox protein	0.0075	0.2677	0.2521
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0352	0.0305
Leishmania major	proteasome alpha 3 subunit, putative	0.0028	0.0442	0.0094
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0028	0.0442	0.0239
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0232	1	1
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0028	0.0442	0.0395
Plasmodium vivax	proteasome subunit alpha type-1, putative	0.0028	0.0442	0.0395
Leishmania major	proteasome alpha 2 subunit, putative	0.0028	0.0442	0.0094
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0023	0.0208	0.016
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0076	0.2703	0.2547
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0232	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.1278	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Onchocerca volvulus	Notchless protein homolog	0.0028	0.0442	0.2187
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0051	0.1552	0.151
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Plasmodium vivax	proteasome subunit alpha type-6, putative	0.0028	0.0442	0.0395
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0551	0.0114
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0028	0.0442	0.0239
Leishmania major	proteasome beta 3 subunit, putative	0.0028	0.0442	0.0094
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0076	0.2703	0.2547
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0352	0.0305
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0232	1	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0049	0.0049
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.0208	0.016
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0023	0.0208	0.016
Plasmodium falciparum	proteasome subunit alpha type-4, putative	0.0028	0.0442	0.0395
Echinococcus granulosus	Proteasome subunit alpha beta	0.0028	0.0442	0.0239
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0028	0.0442	0.0239
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0049	0.5
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0028	0.0442	0.0239
Mycobacterium ulcerans	proteasome PrcB	0.0232	1	1
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Plasmodium falciparum	proteasome subunit alpha type-3, putative	0.0028	0.0442	0.0395
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0028	0.0442	0.0094
Plasmodium vivax	proteasome subunit beta type-7, putative	0.0028	0.0442	0.0395
Brugia malayi	proteasome subunit alpha type 3	0.0028	0.0442	0.0239
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0028	0.0442	0.0395
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0028	0.0442	0.0239
Plasmodium falciparum	proteasome subunit alpha type-6, putative	0.0028	0.0442	0.0395
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0028	0.0442	0.0094
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0232	1	1
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Brugia malayi	proteasome subunit beta type 2	0.0051	0.1552	0.1372
Loa Loa (eye worm)	PAS-3 protein	0.0028	0.0442	0.0395
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0232	1	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.1552	0.1161
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0352	0.0147
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0028	0.0442	0.0239
Entamoeba histolytica	proteasome subunit beta type 7-B precursor, putative	0.0028	0.0442	0.0094
Brugia malayi	Proteasome subunit alpha type 1	0.0028	0.0442	0.0239
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0028	0.0442	0.0239
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0076	0.2703	0.2365
Entamoeba histolytica	proteasome subunit beta Type 4 precursor, putative	0.0028	0.0442	0.0094
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0028	0.0442	0.0239
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0028	0.0442	0.0239
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0051	0.1552	0.1372
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0232	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Brugia malayi	Proteasome A-type and B-type family protein	0.0028	0.0442	0.0239
Plasmodium falciparum	proteasome subunit alpha type-2, putative	0.0028	0.0442	0.0395
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1128	0.8598
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0028	0.0442	0.0239
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.0028	0.0442	0.5
Plasmodium vivax	proteasome subunit beta type-6, putative	0.0028	0.0442	0.0395
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0028	0.0442	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Plasmodium falciparum	proteasome subunit beta type-4	0.0028	0.0442	0.0395
Brugia malayi	Proteasome A-type and B-type family protein	0.0028	0.0442	0.0239
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0051	0.1552	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0028	0.0442	0.0239
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0028	0.0442	0.0395
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0023	0.0208	0.016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Echinococcus multilocularis	proteasome subunit beta type 7	0.0028	0.0442	0.0239
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.1552	0.1161
Brugia malayi	Proteasome subunit alpha type 7-1	0.0028	0.0442	0.0239
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0028	0.0442	0.0239
Giardia lamblia	Proteasome subunit beta type 2	0.0051	0.1552	0.1161
Plasmodium vivax	proteasome subunit alpha type-5, putative	0.0028	0.0442	0.0395
Loa Loa (eye worm)	LGC-31 protein	0.0023	0.0208	0.016
Echinococcus granulosus	proteasome subunit alpha type 6	0.0028	0.0442	0.0239
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0023	0.0208	0.016
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0028	0.0442	0.0239
Plasmodium vivax	proteasome subunit alpha type-4, putative	0.0028	0.0442	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Toxoplasma gondii	proteasome subunit beta type, putative	0.0232	1	1
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0028	0.0442	0.0395
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0028	0.0442	0.0395
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0051	0.1552	0.151
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0352	0.0305
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0028	0.0442	0.0239
Plasmodium falciparum	proteasome subunit alpha type-7, putative	0.0028	0.0442	0.0395
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.2677	0.2338
Brugia malayi	proteasome subunit beta type 1	0.0076	0.2703	0.2547
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0076	0.2703	0.2365
Leishmania major	proteasome beta 2 subunit, putative	0.0051	0.1552	0.1243
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0028	0.0442	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0352	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0352	0.0305
Entamoeba histolytica	calcium-dependent protein kinase 2, putative	0.0028	0.0442	0.0094
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.2677	0.2338
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0028	0.0442	0.0395
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0076	0.2703	0.2436
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0076	0.2703	0.2547
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0028	0.0442	0.0094
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0076	0.2703	0.2436
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Brugia malayi	proteasome subunit beta type 3	0.0028	0.0442	0.0239
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0352	0.0305
Echinococcus multilocularis	chromobox protein 1	0.0075	0.2677	0.2521
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0232	1	1
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0028	0.0442	0.0094
Brugia malayi	proteasome subunit alpha type 6	0.0028	0.0442	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Loa Loa (eye worm)	ACC-1 protein	0.0023	0.0208	0.016
Echinococcus granulosus	chromobox protein 1	0.0075	0.2677	0.2521
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0028	0.0442	0.0395
Brugia malayi	Proteasome A-type and B-type family protein	0.0028	0.0442	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Onchocerca volvulus		0.0026	0.0352	0.1344
Plasmodium vivax	proteasome subunit beta type-4, putative	0.0028	0.0442	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0352	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0352	0.0305
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0076	0.2703	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0028	0.0442	0.0239
Brugia malayi	20S proteasome alpha5 subunit	0.0028	0.0442	0.0239
Brugia malayi	proteasome subunit alpha type 2	0.0028	0.0442	0.0239
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0352	0.0305
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.1278	0.0875
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0028	0.0442	0.0239
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0076	0.2703	0.2365
Echinococcus granulosus	proteasome subunit beta t family	0.0028	0.0442	0.0239
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0076	0.2703	0.2667
Entamoeba histolytica	proteasome subunit beta type 3, putative	0.0028	0.0442	0.0094
Entamoeba histolytica	proteasome subunit alpha type 6, putative	0.0028	0.0442	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1128	0.0718
Plasmodium falciparum	ATP-dependent protease subunit ClpQ	0.0028	0.0442	0.0395
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0028	0.0442	0.0239
Leishmania major	proteasome beta 7 subunit, putative	0.0028	0.0442	0.0094
Plasmodium falciparum	proteasome subunit alpha type-1, putative	0.0028	0.0442	0.0395
Plasmodium vivax	ATP-dependent protease subunit ClpQ, putative	0.0028	0.0442	0.0395
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0028	0.0442	0.0395
Echinococcus multilocularis	chromobox protein 1	0.0075	0.2677	0.2521
Leishmania major	proteasome alpha 7 subunit, putative	0.0028	0.0442	0.0094
Leishmania major	proteasome alpha 1 subunit, putative	0.0028	0.0442	0.0094
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0028	0.0442	0.0239
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0028	0.0442	0.0239
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0023	0.0208	0.016
Echinococcus multilocularis	proteasome subunit beta type 6	0.0028	0.0442	0.0239
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0051	0.1552	0.1372
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0076	0.2703	0.2365
Echinococcus granulosus	proteasome prosome macropain	0.0232	1	1
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0028	0.0442	0.0239
Leishmania major	proteasome beta 5 subunit, putative	0.0232	1	1
Plasmodium vivax	proteasome subunit alpha type-7, putative	0.0028	0.0442	0.0395
Trypanosoma cruzi	20S proteasome subunit	0.0051	0.1552	0.1161
Entamoeba histolytica	proteasome subunit alpha type 1, putative	0.0028	0.0442	0.0094
Plasmodium vivax	proteasome subunit alpha type-2, putative	0.0028	0.0442	0.0395
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0028	0.0442	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0551	0.0114
Trypanosoma brucei	proteasome beta 6 subunit	0.0076	0.2703	0.2365
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0028	0.0442	0.0239
Giardia lamblia	Proteasome subunit beta type 1	0.0076	0.2703	0.2365
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0028	0.0442	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0028	0.0442	0.0094
Schistosoma mansoni	chromobox protein	0.0075	0.2677	0.2521
Leishmania major	proteasome alpha 1 subunit, putative	0.0028	0.0442	0.0094
Plasmodium vivax	proteasome subunit alpha type-3, putative	0.0028	0.0442	0.0395
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0051	0.1552	0.1161
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0232	1	1
Plasmodium vivax	proteasome subunit beta type-3, putative	0.0028	0.0442	0.0395
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0028	0.0442	0.0239
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0028	0.0442	0.0239
Entamoeba histolytica	proteasome subunit beta type 6 precursor, putative	0.0028	0.0442	0.0094
Plasmodium falciparum	proteasome subunit alpha type-5, putative	0.0028	0.0442	0.0395
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0028	0.0442	0.0239
Plasmodium falciparum	proteasome subunit beta type-5	0.0232	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0352	0.0147
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.2677	0.264
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0028	0.0442	0.0239
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0051	0.1552	0.1161
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0352	0.0352
Leishmania major	proteasome alpha 7 subunit, putative	0.0028	0.0442	0.0094
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0028	0.0442	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0701	0.0656
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0028	0.0442	0.0239
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0352	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Mycobacterium ulcerans	proteasome PrcA	0.0028	0.0442	0.0395
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0028	0.0442	0.0094
Leishmania major	proteasome beta 2 subunit, putative	0.0028	0.0442	0.0094
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0076	0.2703	0.2667
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0051	0.1552	0.1372
Plasmodium falciparum	proteasome subunit beta type-6, putative	0.0028	0.0442	0.0395
Plasmodium falciparum	proteasome subunit beta type-7, putative	0.0028	0.0442	0.0395
Leishmania major	proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative)	0.0028	0.0442	0.0094
Brugia malayi	Heterochromatin protein 1	0.0075	0.2677	0.2521
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0352	0.0305
Echinococcus granulosus	chromobox protein 1	0.0075	0.2677	0.2521
Leishmania major	hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B	0.0028	0.0442	0.0094
Echinococcus granulosus	proteasome subunit beta type 6	0.0028	0.0442	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1128	0.0718
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.1278	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0232	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0208	0.016
Plasmodium falciparum	proteasome subunit beta type-3, putative	0.0028	0.0442	0.0395
Leishmania major	proteasome beta-1 subunit, putative	0.0028	0.0442	0.0094
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0028	0.0442	0.0239
Brugia malayi	chromobox protein homolog 3	0.0042	0.1128	0.0939
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0232	1	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0023	0.0208	0.016
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0028	0.0442	0.0395
Onchocerca volvulus		0.0033	0.0701	0.461
Brugia malayi	proteasome subunit alpha type 4	0.0028	0.0442	0.0239
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0352	0.0352
Echinococcus granulosus	proteasome subunit beta type 7	0.0028	0.0442	0.0239
Mycobacterium leprae	probable proteasome (alpha subunit) PrcA	0.0028	0.0442	0.0094
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0051	0.1552	0.1372
Brugia malayi	proteasome subunit alpha type 1	0.0028	0.0442	0.0239
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0028	0.0442	0.0239
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0232	1	1
Echinococcus granulosus	proteasome subunit alpha type 2	0.0028	0.0442	0.0239

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.088 nM	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand	ChEMBL.	9873625
Ki (binding)	= 0.088 nM	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand	ChEMBL.	9873625
MED (functional)	> 62 uM kg-1	Analgesic activity in a mouse hot plate assay	ChEMBL.	9873625
MED (functional)	> 62 uM kg-1	Analgesic activity in a mouse hot plate assay	ChEMBL.	9873625

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: CHEMBL95128

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 157204