TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.601 | Formula: C30H33N3O4
H donors: 3 H acceptors: 3 LogP: 3.39 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1=N[C@]23CC[C@]1(O)C1C43CCN(C2Cc2c4c(O1)c(O)cc2)CC1CC1)NCCc1ccccc1
InChi: 1S/C30H33N3O4/c34-21-9-8-20-16-22-30-12-11-29(36,25(32-30)26(35)31-14-10-18-4-2-1-3-5-18)27-28(30,23(20)24(21)37-27)13-15-33(22)17-19-6-7-19/h1-5,8-9,19,22,27,34,36H,6-7,10-17H2,(H,31,35)/t22?,27?,28?,29-,30-/m1/s1
InChiKey: HKIHGXVMQLQUIN-LBWTYPISSA-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
Mus musculus	opioid receptor, delta 1	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, mu 1	Starlite/ChEMBL	References
Cavia porcellus	Kappa opioid receptor	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, delta 1	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, kappa 1	Starlite/ChEMBL	References
Mus musculus	opioid receptor, mu 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_139759	All targets in OG5_139759
Echinococcus granulosus	tm gpcr rhodopsin	Get druggable targets OG5_139759	All targets in OG5_139759

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Kappa opioid receptor	380 aa	313 aa	26.2 %
Brugia malayi	ORL1-like opioid receptor	Kappa opioid receptor	380 aa	312 aa	25.3 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	374 aa	27.5 %
Schistosoma japonicum	Rhodopsin, putative	Kappa opioid receptor	380 aa	329 aa	23.1 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Kappa opioid receptor	380 aa	389 aa	25.7 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Kappa opioid receptor	380 aa	392 aa	25.8 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	24.2 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	25.8 %
Echinococcus granulosus	somatostatin receptor	Kappa opioid receptor	380 aa	342 aa	19.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Kappa opioid receptor	380 aa	334 aa	25.4 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	Kappa opioid receptor	380 aa	306 aa	21.2 %
Onchocerca volvulus	Mitogen-activated protein kinase kinase kinase 8 homolog	Kappa opioid receptor	380 aa	395 aa	20.3 %
Schistosoma japonicum	ko:K04255 opsin 4 (melanopsin), putative	Kappa opioid receptor	380 aa	352 aa	20.2 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	Kappa opioid receptor	380 aa	379 aa	22.4 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	Kappa opioid receptor	380 aa	316 aa	22.2 %
Onchocerca volvulus		Kappa opioid receptor	380 aa	310 aa	27.4 %
Echinococcus multilocularis	allatostatin A receptor	Kappa opioid receptor	380 aa	313 aa	27.2 %
Brugia malayi	hypothetical protein	Kappa opioid receptor	380 aa	320 aa	20.6 %
Onchocerca volvulus	Phosphoinositide 3-kinase adapter subunit homolog	Kappa opioid receptor	380 aa	323 aa	22.6 %
Brugia malayi	hypothetical protein	Kappa opioid receptor	380 aa	319 aa	21.6 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Kappa opioid receptor	380 aa	326 aa	25.2 %
Echinococcus granulosus	allatostatin A receptor	Kappa opioid receptor	380 aa	317 aa	28.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Kappa opioid receptor	380 aa	403 aa	23.3 %
Brugia malayi	GnHR receptor homolog	Kappa opioid receptor	380 aa	341 aa	20.2 %
Onchocerca volvulus	Phospholipase d-related homolog	Kappa opioid receptor	380 aa	326 aa	20.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0156	0.0912	1
Entamoeba histolytica	cysteine protease, putative	0.0156	0.0912	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0087	0.0154
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0091	0.0378	0.0666
Echinococcus granulosus	cathepsin L cysteine protease	0.0091	0.0378	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Leishmania major	cathepsin L-like protease	0.0208	0.1337	0.4988
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0156	0.0912	0.1606
Plasmodium vivax	vivapain-1	0.0091	0.0378	0.4148
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0046	0.0014	0.0025
Schistosoma mansoni	cathepsin F (C01 family)	0.0156	0.0912	0.1606
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.0378	0.4054
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0046	0.0014	0.0158
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.0378	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0111	0.0548	0.0965
Trypanosoma brucei	cysteine peptidase C (CPC)	0.026	0.1765	1
Echinococcus multilocularis	cathepsin L	0.0091	0.0378	0.0364
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0738	0.5675	1
Echinococcus granulosus	cathepsin b	0.0738	0.5675	0.5669
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Schistosoma mansoni	cathepsin C	0.0046	0.0014	0.0025
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0111	0.0548	0.0965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Trypanosoma cruzi	cysteine proteinase, putative	0.0091	0.0378	0.0666
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	0.1337	0.2357
Onchocerca volvulus	Cathepsin F homolog	0.0156	0.0912	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Echinococcus granulosus	cathepsin L	0.0091	0.0378	0.0364
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.0378	0.4054
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0087	0.0154
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0156	0.0912	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.026	0.1765	0.311
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.026	0.1765	1
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0014	0.0025
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.0014	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0548	0.0965
Plasmodium vivax	serine-repeat antigen (SERA)	0.0046	0.0014	0.0158
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1267	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Onchocerca volvulus		0.0156	0.0912	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0738	0.5675	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0046	0.0014	0.0025
Trypanosoma cruzi	cruzipain precursor, putative	0.0208	0.1337	0.2357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Toxoplasma gondii	cathepsin B	0.026	0.1765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Echinococcus granulosus	cathepsin l1	0.0156	0.0912	0.0898
Echinococcus multilocularis	cathepsin L cysteine protease	0.0156	0.0912	0.0898
Toxoplasma gondii	cathepsin CPL	0.0156	0.0912	0.5125
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0156	0.0912	0.0898
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0548	0.0965
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0164	0.0974	0.1716
Entamoeba histolytica	cysteine proteinase, putative	0.0156	0.0912	1
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0014	0.0025
Brugia malayi	fibroinase precursor	0.0046	0.0014	0.0025
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.0378	0.2078
Brugia malayi	cathepsin F-like cysteine proteinase	0.0046	0.0014	0.0025
Giardia lamblia	Cathepsin B precursor	0.026	0.1765	1
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0046	0.0014	0.0158
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Echinococcus granulosus	cathepsin l1	0.0111	0.0548	0.0534
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0046	0.0014	0.0158
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0046	0.0014	0.0025
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0046	0.0014	0.0158
Loa Loa (eye worm)	cysteine protease	0.0156	0.0912	0.1606
Plasmodium vivax	vivapain-2	0.0156	0.0912	1
Onchocerca volvulus	Cathepsin L homolog	0.0156	0.0912	1
Brugia malayi	Papain family cysteine protease containing protein	0.0091	0.0378	0.0666
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0046	0.0014	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Onchocerca volvulus		0.0156	0.0912	1
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0091	0.0378	0.0666
Leishmania major	cathepsin L-like protease	0.0208	0.1337	0.4988
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0046	0.0014	0.0158
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0156	0.0912	0.0898
Leishmania major	cathepsin L-like protease	0.0208	0.1337	0.4988
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0014	0.0025
Echinococcus multilocularis	cysteine protease	0.0156	0.0912	0.0898
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0046	0.0014	0.0025
Brugia malayi	cathepsin L-like cysteine proteinase	0.0046	0.0014	0.0025
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	0.1337	0.2357
Echinococcus multilocularis	cysteine protease	0.0156	0.0912	0.0898
Trypanosoma cruzi	major cysteine proteinase, putative	0.0098	0.044	0.0776
Onchocerca volvulus		0.0156	0.0912	1
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Onchocerca volvulus		0.0111	0.0548	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0548	0.0965
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0046	0.0014	0.0158
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0156	0.0912	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0046	0.0014	0.0025
Entamoeba histolytica	cysteine proteinase, putative	0.0156	0.0912	1
Onchocerca volvulus	Cathepsin L homolog	0.0156	0.0912	1
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Echinococcus granulosus	cathepsin b	0.0738	0.5675	0.5669
Loa Loa (eye worm)	ctsf protein	0.0156	0.0912	0.1606
Plasmodium vivax	vivapain-2	0.0156	0.0912	1
Onchocerca volvulus		0.0156	0.0912	1
Entamoeba histolytica	cysteine proteinase, putative	0.0111	0.0548	0.5946
Entamoeba histolytica	cysteine proteinase 1, putative	0.0091	0.0378	0.4054
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0046	0.0014	0.0025
Brugia malayi	Papain family cysteine protease containing protein	0.0091	0.0378	0.0666
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0046	0.0014	0.0158
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.026	0.1765	0.311
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Onchocerca volvulus		0.0156	0.0912	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0912	0.1606
Plasmodium vivax	serine-repeat antigen (SERA)	0.0046	0.0014	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0087	0.0154
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.0378	0.2078
Loa Loa (eye worm)	hypothetical protein	0.0738	0.5675	1
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0738	0.5675	1
Entamoeba histolytica	cysteine proteinase 2	0.0091	0.0378	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0156	0.0912	0.0898
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.0378	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0156	0.0912	0.1606
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0046	0.0014	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Echinococcus multilocularis	cathepsin b	0.0738	0.5675	0.5669
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0046	0.0014	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0548	0.0965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Giardia lamblia	Cathepsin B precursor	0.026	0.1765	1
Echinococcus granulosus	cysteine protease	0.0091	0.0378	0.0364
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Trypanosoma cruzi	cysteine peptidase, putative	0.0091	0.0378	0.0666
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0738	0.5675	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0046	0.0014	0.0025
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Echinococcus multilocularis	cathepsin b	0.0738	0.5675	0.5669
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0156	0.0912	0.1606
Schistosoma mansoni	cathepsin B (C01 family)	0.0046	0.0014	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0156	0.0912	0.5125
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Onchocerca volvulus		0.0156	0.0912	1
Brugia malayi	Papain family cysteine protease containing protein	0.0156	0.0912	0.1606
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.0014	0.0025
Echinococcus multilocularis	cathepsin L cysteine protease	0.0156	0.0912	0.0898
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0046	0.0014	0.0025
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0548	0.0965
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	0.1337	0.2357
Trypanosoma cruzi	cysteine proteinase, putative	0.0091	0.0378	0.0666
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0738	0.5675	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Brugia malayi	cathepsin L-like precursor	0.0111	0.0548	0.0965
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0156	0.0912	0.5125
Plasmodium vivax	vivapain-3	0.0091	0.0378	0.4148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.026	0.1765	1
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	0.1337	0.6916
Schistosoma mansoni	cathepsin S (C01 family)	0.0046	0.0014	0.0025
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trypanosoma cruzi	major cysteine proteinase, putative	0.0046	0.0014	0.0025
Schistosoma mansoni	cathepsin F (C01 family)	0.0156	0.0912	0.1606
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0156	0.0912	0.0898
Plasmodium vivax	unspecified product	0.0046	0.0014	0.0158
Trypanosoma cruzi	cysteine protease, putative	0.0091	0.0378	0.0666
Loa Loa (eye worm)	cathepsin B	0.026	0.1765	0.311
Brugia malayi	Cathepsin L-like precursor	0.0156	0.0912	0.1606
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0091	0.0378	0.0666
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0091	0.0378	0.0666
Brugia malayi	cathepsin L precursor	0.0046	0.0014	0.0025
Onchocerca volvulus		0.0156	0.0912	1
Loa Loa (eye worm)	fibroinase	0.0156	0.0912	0.1606
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0548	0.3047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0014	0.0025
Plasmodium vivax	unspecified product	0.0091	0.0378	0.4148
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0046	0.0014	0.0025
Entamoeba histolytica	cysteine protease, putative	0.0091	0.0378	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0548	0.3047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0156	0.0912	0.5125
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0738	0.5675	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0046	0.0014	0.0025
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0087	0.0154
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0046	0.0014	0.0158
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0046	0.0014	0.0025
Giardia lamblia	Cathepsin B precursor	0.026	0.1765	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0046	0.0014	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0156	0.0912	0.5125

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.18 nM	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL.	25283554
EC50 (functional)	= 1.09 nM	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL.	25283554
EC50 (functional)	> 1000 nM	Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL.	25283554
Emax (functional)	= 44.9 %	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay relative to DAMGO	ChEMBL.	25283554
Emax (functional)	= 76.3 %	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay relative to U-69593	ChEMBL.	25283554
Ki (binding)	= 0.12 nM	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum	ChEMBL.	25283554
Ki (binding)	= 0.4 nM	Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes without cerebellum	ChEMBL.	25283554
Ki (binding)	= 0.86 nM	Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes without cerebellum	ChEMBL.	25283554

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.

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External resources for this compound

ChEMBL: CHEMBL3339379

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 933995