TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 494.445 | Formula: C22H28BrN3O3S
H donors: 0 H acceptors: 2 LogP: 4.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2CCN(c2cc1N1C[C@H](C)N([C@@H](C1)C)C)S(=O)(=O)c1cccc(c1)Br
InChi: 1S/C22H28BrN3O3S/c1-15-13-25(14-16(2)24(15)3)21-12-20-17(10-22(21)29-4)8-9-26(20)30(27,28)19-7-5-6-18(23)11-19/h5-7,10-12,15-16H,8-9,13-14H2,1-4H3/t15-,16+
InChiKey: HOOIVYZOIXKEGT-IYBDPMFKSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	growth hormone secretagogue receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	AT19640p	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	390 aa	335 aa	21.8 %
Schistosoma mansoni	rhodopsin-like orphan GPCR	growth hormone secretagogue receptor	289 aa	243 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	MAP kinase sur-1	0.0051	0.0882	0.0882
Echinococcus multilocularis	transfer RNA-Lys	0.0038	0.0497	0.0526
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.0325	0.0325
Schistosoma mansoni	thyroid hormone receptor	0.0163	0.4131	0.4131
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0046	0.0742	0.2777
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0882	0.805
Loa Loa (eye worm)	TOPoisomerase family member	0.0063	0.1248	0.1248
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0325	0.0344
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0057	0.1063	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.0325	0.0325
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0616	0.0652
Onchocerca volvulus	Protein ultraspiracle homolog	0.0032	0.0325	0.1216
Echinococcus multilocularis	glycogen phosphorylase	0.0113	0.2673	0.2829
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.0325	0.0325
Giardia lamblia	Glycogen phosphorylase	0.0113	0.2673	1
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.0325	0.0325
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0325	0.0325
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0882	0.0934
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0057	0.1063	1
Onchocerca volvulus		0.005	0.0867	0.3243
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0165	0.0165
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0882	0.805
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0195	0.0195
Echinococcus multilocularis	musashi	0.0056	0.1039	0.11
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0365	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0882	0.0934
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0497	0.5996
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.0325	0.0325
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0131	0.3215	0.3403
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.0325	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.4343	0.4343
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0046	0.0742	0.2777
Brugia malayi	nuclear hormone receptor	0.0032	0.0325	0.0325
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0282	0.0282
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0325	0.0325
Chlamydia trachomatis	DNA gyrase subunit B	0.0034	0.0407	0.1478
Loa Loa (eye worm)	glycogen phosphorylase	0.0113	0.2673	0.2673
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0882	0.805
Plasmodium vivax	DNA topoisomerase II, putative	0.0063	0.1248	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0113	0.2673	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0616	0.518
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0839	0.0839
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.0325	0.0325
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0157	0.396	0.396
Leishmania major	mitochondrial DNA topoisomerase II	0.005	0.0855	0.7757
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0325	0.0325
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.0325	0.0344
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0042	0.0616	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0365	1	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0042	0.0616	0.0616
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0346	0.9447	0.9447
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.0325	0.0325
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0882	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.0325	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0165	0.0165
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0136	0.0136
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0195	0.0207
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0049	0.082	1
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0063	0.1248	0.1321
Schistosoma mansoni	thyroid hormone receptor	0.0163	0.4131	0.4131
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.0325	0.0325
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0021	0.0014	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.0325	0.0325
Onchocerca volvulus		0.0032	0.0325	0.1216
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0057	0.1063	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0113	0.2673	1
Schistosoma mansoni	glycogen phosphorylase	0.0049	0.082	0.082
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0221	0.0221
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.0325	0.0325
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0616	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0643	0.0643
Giardia lamblia	DNA topoisomerase II	0.0061	0.1167	0.2677
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0113	0.2673	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0882	0.1293
Brugia malayi	hypothetical protein	0.0247	0.6558	0.6558
Schistosoma mansoni	glycogen phosphorylase	0.0113	0.2673	0.2673
Echinococcus granulosus	lamin dm0	0.0056	0.1039	0.11
Trypanosoma brucei	DNA topoisomerase ii	0.005	0.0855	0.7757
Echinococcus multilocularis	lamin	0.0056	0.1039	0.11
Echinococcus multilocularis	glycogen phosphorylase	0.0113	0.2673	0.2829
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0882	0.1293
Plasmodium falciparum	DNA gyrase subunit B	0.0021	0.0014	0.0109
Brugia malayi	intermediate filament protein	0.0056	0.1039	0.1039
Entamoeba histolytica	glycogenphosphorylase, putative	0.0049	0.082	0.099
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0046	0.0742	0.2777
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0195	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0221	0.0221
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.0325	0.0325
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0113	0.2673	0.2829
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.0325	0.0325
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.1039	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0643	0.0643
Schistosoma mansoni	glycogen phosphorylase	0.0113	0.2673	0.2673
Entamoeba histolytica	glycogen phosphorylase, putative	0.0113	0.2673	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0063	0.1248	0.3072
Chlamydia trachomatis	glycogen phosphorylase	0.0113	0.2673	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.0325	0.0325
Schistosoma mansoni	aryl hydrocarbon receptor	0.0051	0.0879	0.0879
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.0325	0.0325
Echinococcus granulosus	lamin	0.0056	0.1039	0.11
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Echinococcus multilocularis	ubiquitin specific protease 41	0.0042	0.0616	0.0652
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.1039	0.1039
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0882	0.805
Onchocerca volvulus	Bile acid receptor homolog	0.0032	0.0325	0.1216
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0882	0.805
Echinococcus multilocularis	lamin dm0	0.0056	0.1039	0.11
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0063	0.1248	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0882	0.1293
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0882	0.0882
Onchocerca volvulus		0.0056	0.1039	0.3888
Plasmodium falciparum	DNA topoisomerase 2	0.0063	0.1248	1
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0063	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0325	0.0325
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.0325	0.0344
Echinococcus granulosus	single minded 2	0.0038	0.0497	0.0526
Schistosoma mansoni	hypothetical protein	0.005	0.0867	0.0867
Onchocerca volvulus		0.0056	0.1039	0.3888
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.005	0.0855	0.7757
Echinococcus granulosus	intermediate filament protein	0.0056	0.1039	0.11
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.0325	0.0344
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0163	0.4131	0.4373
Entamoeba histolytica	DNA topoisomerase II, putative	0.0063	0.1248	0.3072
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.0325	0.0325
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0042	0.0616	0.0616
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0136	0.0136
Schistosoma mansoni	lipoxygenase	0.0057	0.1065	0.1065
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.0325	0.0344
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0346	0.9447	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.005	0.0855	0.7757
Schistosoma mansoni	intermediate filament proteins	0.0056	0.1039	0.1039
Brugia malayi	carbohydrate phosphorylase	0.0113	0.2673	0.2673
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0325	0.0344
Schistosoma mansoni	coup transcription factor	0.0032	0.0325	0.0325
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0325	0.0344
Trypanosoma brucei	protein kinase, putative	0.0051	0.0882	0.805
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0616	0.518
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0057	0.1065	0.1127
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0032	0.0325	0.1216
Plasmodium vivax	DNA gyrase subunit B, putative	0.0021	0.0014	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0325	0.0325
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0346	0.9447	0.9447
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0021	0.0014	0.5
Onchocerca volvulus		0.0049	0.0839	0.3138
Schistosoma mansoni	lamin	0.0056	0.1039	0.1039
Brugia malayi	bHLH-PAS transcription factor	0.0038	0.0497	0.0497
Schistosoma mansoni	hypothetical protein	0.0131	0.3215	0.3215
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0113	0.2673	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.0325	0.0344
Leishmania major	DNA topoisomerase ii	0.0057	0.1063	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0136	0.0136
Echinococcus multilocularis	tumor protein p63	0.0337	0.918	0.9718
Brugia malayi	nuclear receptor NHR-88	0.0032	0.0325	0.0325
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.0325	0.0344
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.0325	0.0325
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0882	0.0934
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0346	0.9447	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0882	0.805
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0616	0.0652
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0346	0.9447	0.9447
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.0325	0.0325
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0131	0.3215	0.3403
Brugia malayi	hypothetical protein	0.017	0.4343	0.4343
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0057	0.1065	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0616	0.0616
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.0325	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0282	0.0282
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0882	0.1293
Echinococcus granulosus	survival motor neuron protein 1	0.0247	0.6558	0.6942
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0616	0.0652
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0839	0.0839
Echinococcus granulosus	glycogen phosphorylase	0.0113	0.2673	0.2829
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0063	0.1248	0.1321
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.0325	0.0325
Schistosoma mansoni	DNA topoisomerase II	0.0063	0.1248	0.1248
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0049	0.082	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0882	0.1293
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0882	0.0934
Brugia malayi	Probable DNA topoisomerase II	0.0063	0.1248	0.1248
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0882	0.7035
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0057	0.1063	1
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.0325	0.0344
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.0325	0.0325
Schistosoma mansoni	lamin	0.0056	0.1039	0.1039
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.0325	0.0344
Schistosoma mansoni	single-minded	0.0051	0.0879	0.0879
Echinococcus granulosus	Glycosyl transferase family 35	0.0113	0.2673	0.2829
Echinococcus granulosus	glycogen phosphorylase	0.0113	0.2673	0.2829
Echinococcus granulosus	tumor protein p63	0.0337	0.918	0.9718
Onchocerca volvulus		0.0038	0.0497	0.1859
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.0325	0.0325
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.0325	0.0325
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	0.6558	0.6942
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0882	0.805
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.0325	0.0325
Brugia malayi	PAS domain containing protein	0.0051	0.0879	0.0879
Brugia malayi	hypoxia-induced factor 1	0.0157	0.396	0.396
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.0325	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0325	0.0325
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0325	0.0344
Brugia malayi	steroid hormone receptor	0.0032	0.0325	0.0325
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.0325	0.0344
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0063	0.1248	0.1248
Entamoeba histolytica	glycogen phosphorylase, putative	0.0049	0.082	0.099
Brugia malayi	ecdysteroid receptor	0.0032	0.0325	0.0325
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0042	0.0616	0.518
Schistosoma mansoni	survival motor neuron protein	0.005	0.0867	0.0867
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0616	0.518
Loa Loa (eye worm)	hypothetical protein	0.0247	0.6558	0.6558
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1009	0.1009
Entamoeba histolytica	glycogen phosphorylase, putative	0.0049	0.082	0.099
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.0325	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1039	0.1039
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0136	0.0136
Echinococcus granulosus	ubiquitin specific protease 41	0.0042	0.0616	0.0652
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0025	0.0136	0.1518
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.1039	0.1039
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0867	0.0867
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0325	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.0325	0.0325

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= -6.9	Agonist activity at GSHR by FLIPR assay	ChEMBL.	17942309
Intrinsic activity (functional)	= 0.7	Intrinsic activity at GSHR relative to human ghrelin	ChEMBL.	17942309
Intrinsic activity (functional)	= 0.7	Intrinsic activity at GSHR relative to human ghrelin	ChEMBL.	17942309
Ki (binding)	= -5.7	Binding affinity at 5HT1B receptor	ChEMBL.	17942309
Log EC50 (functional)	= 6.9	Agonist activity at GSHR by FLIPR assay	ChEMBL.	17942309
Log Ki (binding)	= 5.7	Binding affinity at 5HT1B receptor	ChEMBL.	17942309

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: CHEMBL399704

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 500669