TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.567 | Formula: C26H36FNO4
H donors: 2 H acceptors: 2 LogP: 3.43 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FCCCCN1CC[C@@]23C45[C@@H]1Cc1c2c(O[C@@H]3C(CC4)([C@H](C5)C(O)(C)C)OC)c(cc1)O
InChi: 1S/C26H36FNO4/c1-23(2,30)18-15-24-8-9-26(18,31-3)22-25(24)10-13-28(12-5-4-11-27)19(24)14-16-6-7-17(29)21(32-22)20(16)25/h6-7,18-19,22,29-30H,4-5,8-15H2,1-3H3/t18-,19-,22-,24?,25+,26?/m1/s1
InChiKey: ITTWYDBAQLVMMH-QFJLJEKHSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0042	0.0103	0.0169
Mycobacterium tuberculosis	Probable reductase	0.0111	0.0388	0.8837
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0124	0.0439	1
Plasmodium falciparum	thioredoxin reductase	0.0049	0.0133	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0103
Schistosoma mansoni	microtubule-associated protein tau	0.0712	0.2844	0.2844
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0227	0.0227
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0004	0.0002
Plasmodium vivax	vivapain-2	0.0017	0.0004	0.0116
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0042	0.0103	0.0169
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0003	0.0003
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0004	0.0002
Onchocerca volvulus		0.2465	1	1
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0042	0.0103	0.0101
Leishmania major	cathepsin L-like protease	0.0066	0.0203	0.02
Leishmania major	phosphoglycerate mutase protein, putative	0.0042	0.0103	0.0101
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0042	0.0103	0.0101
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0064	0.4699
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0042	0.0103	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0571	0.0571
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0004	0.0067
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0004	0.0004
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0103	0.0172
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2423	0.983	0.983
Brugia malayi	hypothetical protein	0.0156	0.0571	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0042	0.0103	0.4488
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Loa Loa (eye worm)	ctsf protein	0.0017	0.0004	0.0004
Echinococcus granulosus	chromobox protein 1	0.0072	0.0227	0.0227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0004	0.0004
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0042	0.0103	0.0101
Plasmodium vivax	phosphoglycerate mutase, putative	0.0042	0.0103	0.7739
Onchocerca volvulus		0.0042	0.0103	0.0099
Loa Loa (eye worm)	hypothetical protein	0.1413	0.5705	0.5705
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0144	0.0144
Leishmania major	phosphoglycerate mutase, putative	0.0042	0.0103	0.0101
Onchocerca volvulus		0.0042	0.0103	0.0099
Leishmania major	cathepsin L-like protease	0.0017	0.0004	0.0002
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0042	0.0103	0.4488
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0042	0.0103	0.231
Echinococcus multilocularis	neuropeptide s receptor	0.0477	0.1884	0.1884
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0042	0.0103	0.0101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0042	0.0103	0.0169
Mycobacterium ulcerans	acid phosphatase	0.0042	0.0103	0.0172
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0124	0.0439	1
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0227	1
Leishmania major	cathepsin L-like protease	0.0017	0.0004	0.0002
Echinococcus multilocularis	microtubule associated protein 2	0.0712	0.2844	0.2844
Leishmania major	cathepsin L-like protease	0.0017	0.0004	0.0002
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0077	0.1353
Onchocerca volvulus		0.0032	0.0063	0.0059
Trypanosoma brucei	trypanothione reductase	0.0049	0.0133	0.013
Echinococcus granulosus	phosphoglycerate mutase	0.0042	0.0103	0.0103
Mycobacterium ulcerans	phosphoglyceromutase	0.0042	0.0103	0.0172
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0042	0.0103	0.231
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0042	0.0103	0.0101
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0111	0.0388	0.8837
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.005	0.2114
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0103	0.231
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0133	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0077	0.0077
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0098	0.4254
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0042	0.0103	0.0101
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2465	1	1
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Onchocerca volvulus	Protein UBASH3A homolog	0.0042	0.0103	0.0099
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0042	0.0103	0.7739
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0063	0.0063
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0133	0.0133
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0032	0.0064	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0111	0.0388	0.8837
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0064	0.0064
Echinococcus granulosus	geminin	0.0175	0.0648	0.0648
Leishmania major	hypothetical protein, conserved	0.0042	0.0103	0.0101
Brugia malayi	Thioredoxin reductase	0.0049	0.0133	0.2328
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0004	0.0067
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0042	0.0103	0.231
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0004	0.0004
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0042	0.0103	0.0101
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0203	0.02
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0042	0.0103	0.0103
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0032	0.0064	0.0061
Treponema pallidum	phosphoglyceromutase	0.0042	0.0103	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0042	0.0103	0.0103
Schistosoma mansoni	phosphoglycerate mutase	0.0042	0.0103	0.0103
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0042	0.0103	0.231
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0103
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2423	0.983	0.983
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.0064	0.1118
Brugia malayi	chromobox protein homolog 3	0.004	0.0098	0.172
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0004	0.0004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0042	0.0103	0.7739
Leishmania major	hypothetical protein, conserved	0.0042	0.0103	0.0101
Giardia lamblia	Hypothetical protein	0.1455	0.5875	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0042	0.0103	0.4488
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0042	0.0103	0.7739
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0042	0.0103	0.231
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0098	0.4254
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2423	0.983	0.983
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0042	0.0103	0.0101
Echinococcus granulosus	microtubule associated protein 2	0.0712	0.2844	0.2844
Onchocerca volvulus		0.0042	0.0103	0.0099
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0133	0.013
Loa Loa (eye worm)	hypothetical protein	0.2465	1	1
Leishmania major	hypothetical protein, unknown function	0.0042	0.0103	0.0101
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1052	0.4229	0.4227
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0032	0.0064	0.0061
Plasmodium falciparum	phosphoglucomutase-2	0.0042	0.0103	0.7739
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0042	0.0103	0.4488
Mycobacterium ulcerans	hydrolase MutT1	0.0042	0.0103	0.0172
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0042	0.0103	0.7739
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0111	0.0107
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0133	0.0133
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0042	0.0103	0.0101
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Leishmania major	trypanothione reductase	0.0049	0.0133	0.013
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0042	0.0103	0.0101
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.2465	1	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0042	0.0103	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Mycobacterium ulcerans	hypothetical protein	0.1455	0.5875	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.2423	0.983	0.983
Brugia malayi	glutathione reductase	0.0049	0.0133	0.2328
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.0203	0.02
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0042	0.0103	0.0172
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0227	0.0227
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0003	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.0042	0.0103	0.0103
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0064	0.0064
Mycobacterium ulcerans	phosphoglycerate mutase	0.0042	0.0103	0.0172
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0133	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0004	0.0072
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0103	0.0172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0144	0.0144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Echinococcus multilocularis	neuropeptide receptor A26	0.0477	0.1884	0.1884
Echinococcus multilocularis	cysteine protease	0.0017	0.0004	0.0004
Echinococcus granulosus	phosphoglycerate mutase	0.0042	0.0103	0.0103
Echinococcus granulosus	cathepsin l1	0.0017	0.0004	0.0004
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0042	0.0103	0.231
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0111	0.4811
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0042	0.0103	0.0101
Leishmania major	cathepsin L-like protease	0.0066	0.0203	0.02
Echinococcus granulosus	chromobox protein 1	0.0072	0.0227	0.0227
Onchocerca volvulus	Protein UBASH3A homolog	0.0042	0.0103	0.0099
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0042	0.0103	0.4488
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0077
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1455	0.5875	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Schistosoma mansoni	6-phosphofructokinase	0.2465	1	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Loa Loa (eye worm)	phosphoglycerate mutase	0.0042	0.0103	0.0103
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0042	0.0103	0.0101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Schistosoma mansoni	hypothetical protein	0.0175	0.0648	0.0648
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0042	0.0103	0.0101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1052	0.4229	0.4227
Brugia malayi	phosphoglycerate mutase family protein	0.0042	0.0103	0.1812
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0111	0.4811
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0003	0.0003
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0032	0.0064	0.1403
Brugia malayi	Heterochromatin protein 1	0.0072	0.0227	0.3983
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.0064	0.0064
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0111	0.0388	0.8837
Toxoplasma gondii	cathepsin CPL	0.0017	0.0004	0.0116
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0064	0.0061
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0042	0.0103	0.0101
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0144	0.2518
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0004	0.0004
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0004	0.0116
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0003	0.0045
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0227	0.0227
Giardia lamblia	Hypothetical protein	0.1455	0.5875	1
Echinococcus multilocularis	geminin	0.0175	0.0648	0.0648
Echinococcus granulosus	neuropeptide receptor A26	0.0477	0.1884	0.1884
Loa Loa (eye worm)	hypothetical protein	0.004	0.0098	0.0098
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2465	1	1
Plasmodium falciparum	glutathione reductase	0.0049	0.0133	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0032	0.0064	0.4699
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Leishmania major	cathepsin L-like protease	0.0066	0.0203	0.02
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2465	1	1
Leishmania major	cathepsin L-like protease	0.0017	0.0004	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0103	0.4488
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0042	0.0103	0.7739
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0004	0.0004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Leishmania major	cathepsin L-like protease	0.0017	0.0004	0.0002
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0004	0.0004
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0042	0.0103	0.231
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0042	0.0103	0.0103
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0133	0.0133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0111	0.0388	0.8488
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0124	0.0439	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0042	0.0103	0.0099
Toxoplasma gondii	phosphoglycerate mutase	0.0042	0.0103	0.7739
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0064	0.0064
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0003	0.5
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0064	0.0061
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0003	0.0003
Schistosoma mansoni	chromobox protein	0.0072	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.2423	0.983	0.983
Echinococcus granulosus	phosphoglycerate mutase	0.0042	0.0103	0.0103
Echinococcus granulosus	phosphoglycerate mutase	0.0042	0.0103	0.0103
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.0064	0.0064
Loa Loa (eye worm)	fibroinase	0.0017	0.0004	0.0004
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0203	0.02
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0004	0.0004
Onchocerca volvulus		0.0156	0.0571	0.0567
Brugia malayi	UBASH3A protein homolog	0.0042	0.0103	0.1812
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0145	0.0142
Mycobacterium ulcerans	lipoprotein LpqD	0.0042	0.0103	0.0172
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.0064	0.0064
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0042	0.0103	0.0101
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1455	0.5875	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Mycobacterium ulcerans	phosphoglycerate mutase	0.0042	0.0103	0.0172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Leishmania major	hypothetical protein, conserved	0.0042	0.0103	0.0101
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.0179	0.0177
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0144	0.2518
Schistosoma mansoni	hypothetical protein	0.0175	0.0648	0.0648
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0133	0.0133
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0111	0.0388	0.8837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0203	0.02
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Echinococcus multilocularis	cysteine protease	0.0017	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0004	0.0004
Brugia malayi	phosphoglycerate mutase family protein	0.0042	0.0103	0.1812
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0098	0.0094
Schistosoma mansoni	chromobox protein	0.0072	0.0227	0.0227
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0103
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0042	0.0103	0.7739
Plasmodium vivax	phosphoglucomutase-2, putative	0.0042	0.0103	0.7739
Echinococcus multilocularis	phosphoglycerate mutase	0.0042	0.0103	0.0103
Mycobacterium tuberculosis	Probable dehydrogenase	0.0111	0.0388	0.8837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Echinococcus granulosus	neuropeptide s receptor	0.0477	0.1884	0.1884
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0004	0.0116
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0203	0.02
Plasmodium vivax	vivapain-2	0.0017	0.0004	0.0116
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.0133	0.2985
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0042	0.0103	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0042	0.0103	0.0099
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1052	0.4229	0.4227
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0103	0.231
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0064	0.0061
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0042	0.0103	0.0101
Brugia malayi	isocitrate dehydrogenase	0.0032	0.0064	0.1118
Schistosoma mansoni	phosphoglycerate mutase	0.0042	0.0103	0.0103
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0004	0.0004
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2465	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0004	0.0067
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0004	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0103	0.0103
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0064	0.4699
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0004	0.0067
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0227	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0004	0.0072
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0004	0.0004
Mycobacterium tuberculosis	Probable oxidoreductase	0.0124	0.0439	1
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0133	1
Leishmania major	glycerolphosphate mutase, putative	0.0042	0.0103	0.0101
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Loa Loa (eye worm)	cysteine protease	0.0017	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0103	0.4488
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.005	0.2114
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0042	0.0103	0.0101
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0042	0.0103	0.0172
Schistosoma mansoni	hypothetical protein	0.0042	0.0103	0.0103
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1052	0.4229	0.4227

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 10.7 nM	Binding affinity (Ki) was determined towards Opioid receptors by competition with [3H]-diprenorphine in rat whole brain membrane preparation	ChEMBL.	2158564
logP	= -0.22	Partition coefficient (logP) calculated between octanol-water for the free base of the compound relative to diprenorphine.	ChEMBL.	2158564

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: 151228

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 49789