TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 567.756 | Formula: C34H49NO6
H donors: 5 H acceptors: 4 LogP: 5.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)CCC=C(C)C)CC[C@@H]2[C@]3(C)c3[nH]c4c(c3C2)cccc4)C)[C@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C34H49NO6/c1-19(2)9-8-15-32(3)25-13-12-20-17-22-21-10-6-7-11-23(21)35-30(22)34(20,5)33(25,4)16-14-26(32)41-31-29(39)28(38)27(37)24(18-36)40-31/h6-7,9-11,20,24-29,31,35-39H,8,12-18H2,1-5H3/t20-,24+,25-,26-,27+,28-,29-,31-,32-,33-,34+/m0/s1
InChiKey: RLMHLVYKLURACD-CHRYWTOVSA-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
Homo sapiens	cannabinoid receptor 1 (brain)	Starlite/ChEMBL	References
Homo sapiens	G protein-coupled receptor 55	Starlite/ChEMBL	References
Homo sapiens	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Homo sapiens	G protein-coupled receptor 18	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
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0401	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Chlamydia trachomatis	dihydrofolate reductase	0.0062	0.0911	1
Brugia malayi	lysyl-tRNA synthetase	0.0025	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Onchocerca volvulus		0.0016	0.0078	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0246	0.0246
Trypanosoma cruzi	hexose transporter	0.0035	0.0422	0.0346
Schistosoma mansoni	glucose transport protein	0.0113	0.1819	0.1819
Plasmodium falciparum	calcium-dependent protein kinase 4	0.004	0.0506	0.0509
Trichomonas vaginalis	conserved hypothetical protein	0.0113	0.1819	0.1754
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0025	0.0246	0.0169
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.004	0.0506	0.0509
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0078	0.0078
Leishmania major	protein kinase, putative	0.004	0.0506	0.0431
Plasmodium falciparum	hexose transporter	0.0113	0.1819	0.2071
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0483	0.8481	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0422	0.0346
Loa Loa (eye worm)	sugar transporter	0.0016	0.0078	0.0078
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.004	0.0506	0.0431
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0062	0.0911	0.0839
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0187	0.3158	0.3665
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Echinococcus granulosus	solute carrier family 22	0.0016	0.0078	0.0078
Echinococcus multilocularis	dihydrofolate reductase	0.0062	0.0911	0.0911
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0113	0.1819	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.004	0.0506	0.0506
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0062	0.0911	0.0839
Schistosoma mansoni	hypothetical protein	0.0113	0.1819	0.1819
Echinococcus multilocularis	General substrate transporter	0.0097	0.1534	0.1534
Brugia malayi	major facilitator superfamily protein	0.0016	0.0078	0.0078
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0078	0.0078
Echinococcus granulosus	solute carrier family 22	0.0016	0.0078	0.0078
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0034	0.0401	0.0401
Chlamydia trachomatis	lysine--tRNA ligase	0.0025	0.0246	0.2631
Onchocerca volvulus		0.0016	0.0078	1
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0062	0.0911	1
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.004	0.0506	0.0431
Plasmodium vivax	hexose transporter	0.0113	0.1819	0.2071
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0502	0.0427
Schistosoma mansoni	serine/threonine protein kinase	0.004	0.0506	0.0506
Loa Loa (eye worm)	hypothetical protein	0.004	0.0506	0.0506
Toxoplasma gondii	protein kinase, putative	0.0323	0.5608	0.5573
Onchocerca volvulus		0.0016	0.0078	1
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Plasmodium falciparum	calcium-dependent protein kinase 1	0.004	0.0506	0.0509
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0506	0.0431
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0078	0.0078
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0025	0.0246	0.0169
Brugia malayi	Cam kinase protein 1	0.004	0.0506	0.0506
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0025	0.0246	0.0929
Onchocerca volvulus		0.0016	0.0078	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Onchocerca volvulus		0.0016	0.0078	1
Mycobacterium ulcerans	sugar transporter	0.0016	0.0078	0.0777
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.004	0.0506	0.0431
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0034	0.0401	0.3051
Toxoplasma gondii	lysine-tRNA ligase	0.0025	0.0246	0.0169
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0422	0.0346
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0034	0.0401	0.0401
Onchocerca volvulus	Putative transporter	0.0016	0.0078	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0062	0.0911	0.0991
Plasmodium falciparum	proline--tRNA ligase	0.0039	0.0502	0.0504
Schistosoma mansoni	protein kinase	0.004	0.0506	0.0506
Plasmodium falciparum	protein kinase 7	0.0323	0.5608	0.658
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Loa Loa (eye worm)	sugar transporter	0.0113	0.1819	0.1819
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0021	0.0177	0.1191
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0422	0.0346
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.004	0.0506	0.0506
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0187	0.3158	0.3665
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.004	0.0506	0.0506
Onchocerca volvulus		0.0016	0.0078	1
Schistosoma mansoni	dihydrofolate reductase	0.0062	0.0911	0.0911
Giardia lamblia	Prolyl-tRNA synthetase	0.0034	0.0401	0.0325
Echinococcus multilocularis	lysyl tRNA synthetase	0.0025	0.0246	0.0246
Plasmodium falciparum	calcium-dependent protein kinase 3	0.004	0.0506	0.0509
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0422	0.0346
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0502	0.0427
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0034	0.0401	0.0401
Brugia malayi	dihydrofolate reductase family protein	0.0062	0.0911	0.0911
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0246	0.2631
Trypanosoma brucei	glucose transporter 1E	0.0035	0.0422	0.0346
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0422	0.0346
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0062	0.0911	1
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0422	0.0346
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Brugia malayi	hypothetical protein	0.0016	0.0078	0.0078
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Toxoplasma gondii	facilitative glucose transporter GT1	0.0113	0.1819	0.1754
Plasmodium falciparum	calcium-dependent protein kinase 2	0.004	0.0506	0.0509
Onchocerca volvulus		0.0016	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0078	0.0777
Echinococcus granulosus	dihydrofolate reductase	0.0062	0.0911	0.0911
Schistosoma mansoni	lysyl-tRNA synthetase	0.0025	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Brugia malayi	Dihydrofolate reductase	0.0062	0.0911	0.0911
Trichomonas vaginalis	glucose transporter, putative	0.0035	0.0422	0.0346
Schistosoma mansoni	sugar transporter	0.0016	0.0078	0.0078
Plasmodium vivax	calcium-dependent protein kinase, putative	0.004	0.0506	0.0509
Schistosoma mansoni	glucose transport protein	0.0113	0.1819	0.1819
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0401	0.0401
Plasmodium falciparum	protein kinase 6	0.0483	0.8481	1
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0078	0.0078
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0008	0.5
Brugia malayi	Sugar transporter family protein	0.0016	0.0078	0.0078
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.0911	0.0991
Brugia malayi	hypothetical protein	0.0016	0.0078	0.0078
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0078	0.0078
Entamoeba histolytica	protein kinase, putative	0.004	0.0506	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0401	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0062	0.0911	0.0839
Schistosoma mansoni	glucose transport protein	0.0113	0.1819	0.1819
Loa Loa (eye worm)	dihydrofolate reductase	0.0062	0.0911	0.0911
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0078	0.0777
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0401	0.0401
Echinococcus granulosus	calcium dependent protein kinase	0.0032	0.0375	0.0375
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0035	0.0422	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0287	0.0287
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0014	0.0043	0.0043
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.004	0.0506	0.0509
Brugia malayi	major facilitator superfamily protein	0.0016	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0078	0.0078
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0025	0.0246	0.0169
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0078	0.0078
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0187	0.3158	0.3104
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Echinococcus granulosus	lysyl tRNA synthetase	0.0025	0.0246	0.0246
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0078	0.0777
Entamoeba histolytica	protein kinase, putative	0.004	0.0506	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0502	0.0427
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.004	0.0506	0.0509
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0034	0.0401	0.0325
Onchocerca volvulus		0.0016	0.0078	1
Schistosoma mansoni	protein kinase	0.004	0.0506	0.0506
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0078	0.0078
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Brugia malayi	Sugar transporter family protein	0.0113	0.1819	0.1819
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0039	0.0502	0.0427
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0062	0.0911	0.0839
Plasmodium vivax	proline--tRNA ligase, putative	0.0039	0.0502	0.0504
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0078	0.0078
Plasmodium falciparum	lysine--tRNA ligase	0.0025	0.0246	0.0199
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Onchocerca volvulus		0.0016	0.0078	1
Onchocerca volvulus		0.0016	0.0078	1
Onchocerca volvulus		0.0016	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0078	0.0078
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0422	0.0346
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0422	0.0346
Brugia malayi	hypothetical protein	0.0016	0.0078	0.0078
Leishmania major	glucose transporter, lmgt3	0.0035	0.0422	0.0346
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Trichomonas vaginalis	sugar transporter, putative	0.0035	0.0422	0.0346
Onchocerca volvulus		0.0016	0.0078	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0422	0.0346
Leishmania major	lysyl-tRNA synthetase, putative	0.0025	0.0246	0.0169
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.0422	0.0346
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0039	0.0502	0.0427
Onchocerca volvulus		0.0016	0.0078	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Trypanosoma brucei	glucose transporter 2A	0.0035	0.0422	0.0346
Schistosoma mansoni	sugar transporter	0.0016	0.0078	0.0078
Plasmodium vivax	lysine--tRNA ligase, putative	0.0025	0.0246	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0078	0.0078
Echinococcus granulosus	General substrate transporter	0.0097	0.1534	0.1534
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0025	0.0246	0.2631
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.0401	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0246	0.0246
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0062	0.0911	1
Schistosoma mansoni	protein kinase	0.004	0.0506	0.0506
Leishmania major	glucose transporter, lmgt2	0.0035	0.0422	0.0346
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Onchocerca volvulus		0.0016	0.0078	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0078	0.5
Schistosoma mansoni	sugar transporter	0.0016	0.0078	0.0078
Schistosoma mansoni	sugar transporter	0.0016	0.0078	0.0078
Plasmodium falciparum	calcium-dependent protein kinase 5	0.004	0.0506	0.0509
Echinococcus granulosus	solute carrier family 22	0.0016	0.0078	0.0078
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0022	0.019	0.0112
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0078	0.0078
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.004	0.0506	0.0506
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0034	0.0401	0.598
Onchocerca volvulus		0.0016	0.0078	1
Brugia malayi	Sugar transporter family protein	0.0016	0.0078	0.0078
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.004	0.0506	0.0506
Giardia lamblia	Lysyl-tRNA synthetase	0.0025	0.0246	0.0169
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0113	0.1819	0.1819
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Leishmania major	glucose transporter, lmgt1	0.0035	0.0422	0.0346
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0039	0.0502	0.0427
Trypanosoma brucei	glucose transporter, putative	0.0035	0.0422	0.0346
Onchocerca volvulus		0.0016	0.0078	1
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0078	0.0078
Trypanosoma cruzi	hexose transporter, putative	0.0019	0.0137	0.0059
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.004	0.0506	0.0431
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0021	0.0177	0.1191
Echinococcus multilocularis	calcium dependent protein kinase	0.0032	0.0375	0.0375
Echinococcus granulosus	solute carrier family 22	0.0016	0.0078	0.0078
Schistosoma mansoni	glucose transporter	0.0016	0.0078	0.0078
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0035	0.0422	0.0346
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0078	0.0078

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Antagonist activity at human GPR18 expressed in CHO cells assessed as inhibition of 10 uM THC-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay	ChEMBL.	24471526
IC50 (binding)	> 10 uM	Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay	ChEMBL.	24471526
Inhibition (functional)		Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 5 mins followed by forskolin challenge measured after 15 mins by liquid scintillation counting analysis in presence of [3H]cAMP	ChEMBL.	24471526
Inhibition (binding)	= 13 %	Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-mediated beta-arrestin recruitment at 10 uM after 90 mins by beta-galactosidase reporter gene assay relative to control	ChEMBL.	24471526
Inhibition (binding)	= 15 %	Antagonist activity at human GPR18 expressed in CHO cells assessed as inhibition of 10 uM THC-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay	ChEMBL.	24471526
Inhibition (binding)	= 30 %	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells	ChEMBL.	24471526
Ki (binding)	= 10.6 uM	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells	ChEMBL.	24471526
Ki (binding)	= 10.6 uM	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells	ChEMBL.	24471526

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: CHEMBL3120631

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 1834885