TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.832 | Formula: C17H24ClNO
H donors: 1 H acceptors: 1 LogP: 5.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)NC(=O)c1cccc(c1)Cl)C(C)C
InChi: 1S/C17H24ClNO/c1-11(2)15-8-7-12(3)9-16(15)19-17(20)13-5-4-6-14(18)10-13/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
InChiKey: WXODRNGKTKTVGW-UHOFOFEASA-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
Rattus norvegicus	Transient receptor potential cation channel subfamily M member 8	Starlite/ChEMBL	References
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	transient receptor potential cation channel	Transient receptor potential cation channel subfamily M member 8	1104 aa	1095 aa	25.2 %
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	Transient receptor potential cation channel subfamily M member 8	1104 aa	1070 aa	24.6 %
Echinococcus granulosus	transient receptor potential cation channel	Transient receptor potential cation channel subfamily M member 8	1104 aa	1098 aa	25.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	p2X purinoceptor 4	0.0082	0.0892	0.4473
Giardia lamblia	Fructose-bisphosphate aldolase	0.0295	0.3527	1
Echinococcus granulosus	transient receptor potential cation channel	0.001	0.000000024873	0.00000012473
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Schistosoma mansoni	hypothetical protein	0.0016	0.0076	0.0382
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.1744	0.1744
Schistosoma mansoni	hypothetical protein	0.0031	0.0265	0.1329
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.012	0.3807
Schistosoma mansoni	DNA polymerase eta	0.0019	0.012	0.0603
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0316	1
Brugia malayi	Pax transcription factor protein 2	0.0243	0.2883	0.9367
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0501	0.1629
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0132	0.0427
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0501	0.1629
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0076	0.0247
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0132	0.0427
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0132	0.066
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0076	0.2423
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.1369	0.4449
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0316	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Echinococcus granulosus	transient receptor potential cation channel	0.001	0.000000024873	0.00000012473
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0076	0.2423
Leishmania major	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0132	0.066
Trypanosoma brucei	unspecified product	0.0013	0.0045	0.1438
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0076	0.0076
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0305	0.099
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0076	0.2423
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0132	0.0132
Schistosoma mansoni	hypothetical protein	0.0034	0.0305	0.1528
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0076	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0076	0.0247
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0132	0.066
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.012	0.039
Entamoeba histolytica	hypothetical protein	0.0035	0.0316	0.0574
Schistosoma mansoni	P2X receptor subunit	0.0082	0.0892	0.4473
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.012	0.012
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0132	0.0427
Echinococcus granulosus	transcription factor btf3	0.0035	0.0316	0.1583
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.012	0.3807
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Echinococcus multilocularis	geminin	0.0171	0.1994	0.1994
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0132	0.066
Leishmania major	DNA polymerase eta, putative	0.0019	0.012	0.3807
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0144	0.1661	0.5
Brugia malayi	hypothetical protein	0.0011	0.0013	0.0041
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0132	0.0427
Echinococcus granulosus	GPCR family 2	0.0016	0.0076	0.0382
Echinococcus granulosus	transient receptor potential cation channel	0.001	0.000000024873	0.00000012473
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0132	0.0132
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0076	0.2423
Loa Loa (eye worm)	pax transcription factor protein 2	0.0243	0.2883	0.9367
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.012	0.039
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0041
Trypanosoma brucei	unspecified product	0.0013	0.0045	0.1438
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.012	0.0603
Schistosoma mansoni	hypothetical protein	0.0016	0.0076	0.0382
Schistosoma mansoni	caspase-7 (C14 family)	0.0031	0.0265	0.1329
Onchocerca volvulus		0.0031	0.0265	0.0919
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.3527	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0132	0.0132
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0132	0.066
Onchocerca volvulus	Cell death protein 3 homolog	0.0031	0.0265	0.0919
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0076	0.0076
Echinococcus granulosus	geminin	0.0171	0.1994	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0132	0.0132
Brugia malayi	nuclear receptor NHR-88	0.002	0.0132	0.0427
Onchocerca volvulus		0.002	0.0132	0.0456
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0132	0.066
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1744	0.5665
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0132	0.0427
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.012	0.012
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0132	0.0427
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Echinococcus multilocularis	p2X purinoceptor 4	0.0082	0.0892	0.0892
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0132	0.0456
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0316	1
Onchocerca volvulus		0.0243	0.2883	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0501	0.1629
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0132	0.066
Brugia malayi	hypothetical protein	0.0011	0.0013	0.0041
Schistosoma mansoni	transcription factor btf3	0.0035	0.0316	0.1583
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0132	0.0427
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0316	1
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0132	0.0427
Schistosoma mansoni	hypothetical protein	0.0171	0.1994	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1744	0.5665
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.3527	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0076	0.2423
Echinococcus multilocularis	muscleblind protein	0.0151	0.1744	0.1744
Brugia malayi	olfactory channel protein osm-9	0.001	0.000000024873	0.000000080814
Echinococcus granulosus	p2X purinoceptor 4	0.0082	0.0892	0.4473
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0076	0.2423
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.012	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0041
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0316	0.0895
Brugia malayi	beta-NAC-like protein	0.0035	0.0316	0.1026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0132	0.0427
Loa Loa (eye worm)	hypothetical protein	0.001	0.000000024873	0.000000080814
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0011	0.0013	0.0063
Brugia malayi	nuclear hormone receptor	0.002	0.0132	0.0427
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0076	0.0076
Schistosoma mansoni	transient receptor potential channel	0.001	0.000000024873	0.00000012473
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0132	0.0132
Echinococcus granulosus	dna polymerase kappa	0.0019	0.012	0.0603
Brugia malayi	photoreceptor-specific nuclear receptor	0.0259	0.3078	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0076	0.2423
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0132	0.066
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0305	0.099
Schistosoma mansoni	coup transcription factor	0.002	0.0132	0.066
Trypanosoma brucei	unspecified product	0.0019	0.012	0.3807
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0132	0.0427
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0316	1
Brugia malayi	Muscleblind-like protein	0.0151	0.1744	0.5665
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0132	0.066
Echinococcus multilocularis	p2X purinoceptor 4	0.0082	0.0892	0.0892
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.012	0.3807
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0316	0.0895
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0132	0.0427
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0076	0.0382
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0132	0.066
Brugia malayi	ecdysteroid receptor	0.002	0.0132	0.0427
Echinococcus granulosus	dna polymerase eta	0.0019	0.012	0.0603
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0011	0.0013	0.0041
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Loa Loa (eye worm)	hypothetical protein	0.001	0.000000024873	0.000000080814
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0132	0.0132
Echinococcus multilocularis	transient receptor potential cation channel	0.001	0.000000024873	0.000000024873
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0011	0.0013	0.0013
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0041
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0316	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0132	0.0427
Echinococcus multilocularis	p2X purinoceptor 4	0.0082	0.0892	0.0892
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0045	0.1438
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0132	0.0427
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0132	0.0427
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0132	0.0456
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.012	0.3807
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0132	0.0132
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0132	0.066
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0013	0.0063
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0132	0.0132
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0132	0.0456
Echinococcus granulosus	p2X purinoceptor 4	0.0082	0.0892	0.4473
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0076	0.0249
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0295	0.3527	0.5
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0144	0.1661	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.0861
Loa Loa (eye worm)	hypothetical protein	0.001	0.000000024873	0.000000080814
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.012	0.0603
Echinococcus multilocularis	transient receptor potential cation channel	0.001	0.000000024873	0.000000024873
Schistosoma mansoni	hypothetical protein	0.0016	0.0076	0.0382
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0045	0.1438
Echinococcus multilocularis	transient receptor potential cation channel	0.001	0.000000024873	0.000000024873
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Echinococcus granulosus	muscleblind protein	0.0151	0.1744	0.8744
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0076	0.0076
Brugia malayi	hypothetical protein	0.0031	0.0265	0.0861
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0132	0.0427
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0132	0.066
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.1369	0.4449
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0132	0.066
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0132	0.066
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0132	0.0132
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.012	0.3807
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.012	0.0603
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0045	0.1438
Loa Loa (eye worm)	hypothetical protein	0.0019	0.012	0.039
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0013	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0041
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.012	0.0341
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0076	0.0076
Entamoeba histolytica	transcription factor BTF3, putative	0.0035	0.0316	0.0574
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0076	0.0249
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0132	0.066
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0132	0.066
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0132	0.066
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0076	0.0247
Schistosoma mansoni	P2X receptor subunit	0.0082	0.0892	0.4473
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0132	0.066
Brugia malayi	MH2 domain containing protein	0.0121	0.1369	0.4449
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0132	0.0427
Schistosoma mansoni	hypothetical protein	0.0171	0.1994	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0132	0.066
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0076	0.0384
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.012	0.0276
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0316	0.0316
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0132	0.066
Schistosoma mansoni	transient receptor potential channel	0.001	0.000000024873	0.00000012473
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0076	0.0076
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0132	0.0427
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0132	0.0427
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.012	0.039
Loa Loa (eye worm)	hypothetical protein	0.005	0.0501	0.1629
Echinococcus multilocularis	dna polymerase eta	0.0019	0.012	0.012
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0031	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0041
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.3527	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0011	0.0013	0.0063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0132	0.0427
Schistosoma mansoni	P2X receptor subunit	0.0082	0.0892	0.4473
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0076	0.0249
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0132	0.0427
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.012	0.3807
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0013	0.0041
Schistosoma mansoni	P2X receptor subunit	0.0082	0.0892	0.4473
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0132	0.0427
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0076	0.0384
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.012	0.0341
Echinococcus granulosus	caspase 2	0.0031	0.0265	0.1329
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.012	0.3807
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0144	0.1661	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0132	0.0427
Brugia malayi	nuclear receptor RXR	0.0011	0.0013	0.0041
Brugia malayi	Cell death protein 3 precursor	0.0031	0.0265	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3078	1
Echinococcus granulosus	apoptotic protease activating factor 1	0.0031	0.0265	0.1329
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0076	0.0076
Schistosoma mansoni	hypothetical protein	0.0016	0.0076	0.0382
Echinococcus multilocularis	caspase 2	0.0031	0.0265	0.0265
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0076	0.0382
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0132	0.066
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0132	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0265	0.0861
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0316	0.1026
Brugia malayi	steroid hormone receptor	0.002	0.0132	0.0427
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0132	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0316	0.0895

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 7.6 uM	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as intracellular calcium stimulation	ChEMBL.	20378345
Efficacy (functional)	< 10 %	Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as intracellular calcium stimulation relative to isothiocyanate	ChEMBL.	20378345
Efficacy (functional)	= 41.9 %	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as intracellular calcium stimulation relative to inomycin	ChEMBL.	20378345
IC50 (functional)	= 2.1 uM	Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as icilin-induced calcium elevation	ChEMBL.	20378345
IC50 (functional)	= 2.8 uM	Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation	ChEMBL.	20378345

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: CHEMBL1095651

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 1598058