TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.586 | Formula: C24H39N3O
H donors: 0 H acceptors: 0 LogP: 4.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc2c1CCCC2N(CCN1CCN(CC1)C1CCCCC1)C
InChi: 1S/C24H39N3O/c1-25(23-12-6-11-22-21(23)10-7-13-24(22)28-2)14-15-26-16-18-27(19-17-26)20-8-4-3-5-9-20/h7,10,13,20,23H,3-6,8-9,11-12,14-19H2,1-2H3
InChiKey: SSAJSQOSJKNLHZ-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
Cavia porcellus	Sigma-1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051

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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0283	0.623	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.1126	0.1126
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0184	0.0296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Plasmodium vivax	vivapain-2	0.0025	0.0184	1
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.0184	0.0184
Onchocerca volvulus	Cathepsin L homolog	0.0025	0.0184	0.0702
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.1252	0.1252
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.1848	0.1848
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0283	0.623	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.1848	0.1848
Echinococcus granulosus	aldehyde reductase	0.0022	0.0118	0.019
Onchocerca volvulus		0.0025	0.0184	0.0702
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Leishmania major	cathepsin L-like protease	0.007	0.1252	0.1088
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Echinococcus multilocularis	cathepsin L cysteine protease	0.0025	0.0184	0.0296
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0025	0.0184	0.0126
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Onchocerca volvulus		0.0096	0.1848	1
Onchocerca volvulus		0.0031	0.0327	0.1498
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0327	1
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0184	0.564
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0059	0.1794
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0059	0.0059
Leishmania major	cathepsin L-like protease	0.007	0.1252	0.1088
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0184	0.564
Onchocerca volvulus		0.0096	0.1848	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0096	0.184	0.1687
Schistosoma mansoni	tyrosinase precursor	0.0096	0.1848	0.2967
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0059	0.0059
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0327	0.1776
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0283	0.623	0.623
Toxoplasma gondii	cathepsin B	0.0096	0.184	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0327	0.0327
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.0327	0.0327
Loa Loa (eye worm)	fibroinase	0.0025	0.0184	0.0126
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0096	0.184	0.184
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0327	1
Echinococcus multilocularis	cysteine protease	0.0025	0.0184	0.0296
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0019	0.0059	0.0059
Echinococcus multilocularis	cathepsin b	0.0283	0.623	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0283	0.623	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0327	0.0524
Onchocerca volvulus		0.0031	0.0327	0.1498
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Leishmania major	cathepsin L-like protease	0.007	0.1252	0.1088
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0327	0.1776
Onchocerca volvulus		0.0031	0.0327	0.1498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0025	0.0184	0.0296
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0327	0.0524
Echinococcus granulosus	cathepsin b	0.0283	0.623	1
Leishmania major	prostaglandin f synthase, putative	0.0031	0.0327	0.0145
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Loa Loa (eye worm)	ShTK domain-containing protein	0.0096	0.1848	0.18
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0025	0.0184	0.0296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Onchocerca volvulus		0.0025	0.0184	0.0702
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Onchocerca volvulus		0.0025	0.0184	0.0702
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0025	0.0184	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.0327	0.0145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0059	0.0319
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0327	0.027
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Echinococcus granulosus	aldo keto reductase	0.0031	0.0327	0.0524
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0327	0.1776
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0327	0.027
Brugia malayi	cathepsin L-like precursor	0.0019	0.0059	0.0059
Echinococcus multilocularis	cysteine protease	0.0025	0.0184	0.0296
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0327	0.027
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0327	0.5
Loa Loa (eye worm)	ctsf protein	0.0025	0.0184	0.0126
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.1252	0.1252
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.1252	0.1252
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0184	0.0184
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.0327	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0327	0.027
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0096	0.184	0.184
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0025	0.0184	0.0296
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0096	0.1848	0.1848
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0025	0.0184	0.1001
Echinococcus multilocularis	cathepsin b	0.0283	0.623	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0327	0.0524
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0025	0.0184	0.0296
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0059	0.0319
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Onchocerca volvulus		0.0025	0.0184	0.0702
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0096	0.184	0.2954
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0025	0.0184	0.0126
Onchocerca volvulus		0.0096	0.1848	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0025	0.0184	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0327	0.1776
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Giardia lamblia	Cathepsin B precursor	0.0096	0.184	1
Echinococcus granulosus	cathepsin b	0.0283	0.623	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0025	0.0184	0.0296
Onchocerca volvulus		0.0025	0.0184	0.0702
Echinococcus granulosus	cathepsin l1	0.0025	0.0184	0.0296
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Loa Loa (eye worm)	tyrosinase 1	0.0096	0.1848	0.18
Onchocerca volvulus		0.0031	0.0327	0.1498
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.0327	0.0327
Trypanosoma cruzi	major cysteine proteinase, putative	0.0057	0.0942	0.0942
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0327	0.027
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0096	0.184	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.0327	0.0145
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0327	0.0327
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0327	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0184	0.0126
Onchocerca volvulus		0.0096	0.1848	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.623	0.6208
Schistosoma mansoni	tyrosinase precursor	0.0096	0.1848	0.2967
Loa Loa (eye worm)	hypothetical protein	0.0227	0.4919	0.4889
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.0327	0.0327
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Loa Loa (eye worm)	cathepsin B	0.0096	0.184	0.1792
Onchocerca volvulus	Cathepsin F homolog	0.0025	0.0184	0.0702
Echinococcus granulosus	hypothetical protein	0.0031	0.0327	0.0524
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0059	0.0094
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0327	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0327	0.1776
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Entamoeba histolytica	cysteine protease, putative	0.0025	0.0184	0.564
Onchocerca volvulus		0.0025	0.0184	0.0702
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0327	0.1776
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0283	0.623	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0327	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.1252	0.1252
Onchocerca volvulus	Cathepsin L homolog	0.0025	0.0184	0.0702
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Loa Loa (eye worm)	ShTK domain-containing protein	0.0096	0.1848	0.18
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Loa Loa (eye worm)	cysteine protease	0.0025	0.0184	0.0126
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Giardia lamblia	Cathepsin B precursor	0.0096	0.184	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0327	0.0524
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0327	0.027
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.0184	0.1001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Giardia lamblia	Cathepsin B precursor	0.0096	0.184	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0327	1
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0327	0.086
Echinococcus granulosus	aldo keto reductase	0.0031	0.0327	0.0524
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0118	0.019
Onchocerca volvulus		0.0031	0.0327	0.1498
Onchocerca volvulus		0.0031	0.0327	0.1498
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0327	0.0524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0184	0.0296
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Onchocerca volvulus		0.0025	0.0184	0.0702
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0025	0.0184	1
Echinococcus granulosus	cathepsin l1	0.0019	0.0059	0.0094
Schistosoma mansoni	pol-related	0.0031	0.0327	0.0524
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0327	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1848	0.18
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0184	0.0184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0025	0.0184	0.1001
Brugia malayi	ShTK domain containing protein	0.0096	0.1848	0.1848
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Brugia malayi	Common central domain of tyrosinase family protein	0.0096	0.1848	0.1848
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Plasmodium vivax	vivapain-2	0.0025	0.0184	1
Leishmania major	aldo-keto reductase-like protein	0.0031	0.0327	0.0145
Brugia malayi	cathepsin B-like cysteine proteinase	0.0283	0.623	0.623
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1848	0.18
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0327	0.0524
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.1252	0.1252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0184	0.1001
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0327	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0327	0.0524
Echinococcus granulosus	aldo keto reductase	0.0031	0.0327	0.0524
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0327	0.1776

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 82 %	Antiproliferative activity against human SK-N-SH cells at 100 uM after 48 hts by MTT assay	ChEMBL.	21229979
Ki (binding)	= 4.17 nM	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum	ChEMBL.	21229979

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: CHEMBL1672036

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1504791