TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 472.751 | Formula: C23H16Cl3N3O2
H donors: 2 H acceptors: 3 LogP: 6.61 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)NC(=O)c1nn(c(c1C)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl
InChi: 1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31)
InChiKey: AONQVKRIOAZBTM-UHFFFAOYSA-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	peroxisome proliferator-activated receptor alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma japonicum	IPR008946,Nuclear receptor, ligand-binding,domain-containing	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	Get druggable targets OG5_137778	All targets in OG5_137778

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	peroxisome proliferator-activated receptor alpha	468 aa	397 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	GTOR	0.252	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0531	0.1939	0.1939
Schistosoma mansoni	hypothetical protein	0.0368	0.128	0.128
Entamoeba histolytica	hypothetical protein	0.0163	0.0446	0.0446
Entamoeba histolytica	hypothetical protein	0.0163	0.0446	0.0446
Onchocerca volvulus		0.0163	0.0446	0.5
Schistosoma mansoni	hypothetical protein	0.0163	0.0446	0.0446
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0477	0.1719	0.1719
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0163	0.0446	0.0446
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0163	0.0446	0.0446
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.252	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0163	0.0446	0.0446
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0163	0.0446	0.0446
Trypanosoma cruzi	target of rapamycin kinase 3	0.2006	0.7919	0.7919
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0368	0.128	0.128
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.169	0.6638	0.6638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0163	0.0446	0.0446
Entamoeba histolytica	hypothetical protein	0.0477	0.1719	0.1719
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0053	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1506	0.589	0.589
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.5293	0.5293
Leishmania major	hypothetical protein, unknown function	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Entamoeba histolytica	hypothetical protein	0.0163	0.0446	0.0446
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.252	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0163	0.0446	0.0446
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0845	0.3212	0.3212
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0477	0.1719	0.1719
Leishmania major	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0477	0.1719	0.1719
Onchocerca volvulus		0.0163	0.0446	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0314	0.106	0.106
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.0446	0.0446
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0074	0.0086	0.0086
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.2006	0.7919	0.7919
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.252	1	1
Loa Loa (eye worm)	hypothetical protein	0.0531	0.1939	0.1939
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0163	0.0446	0.0446
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1047	0.4029	0.4029
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0163	0.0446	0.0446
Brugia malayi	FAT domain containing protein	0.0368	0.128	0.128
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0845	0.3212	0.3212
Entamoeba histolytica	protein kinase rad3, putative	0.0477	0.1719	0.1719
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0163	0.0446	0.0446
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.252	1	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0163	0.0446	0.0446
Trichomonas vaginalis	conserved hypothetical protein	0.0314	0.106	0.106
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.252	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0845	0.3212	0.3212
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0163	0.0446	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0477	0.1719	0.1719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.0446	0.0446
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.0446	0.5
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0074	0.0086	0.0086
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0163	0.0446	0.0446
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0163	0.0446	0.0446
Plasmodium vivax	hypothetical protein	0.0163	0.0446	1
Toxoplasma gondii	FATC domain-containing protein	0.0477	0.1719	0.1835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.0446	0.0446
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Loa Loa (eye worm)	phosphatidylinositol 3	0.0845	0.3212	0.3212
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0163	0.0446	0.0446
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0477	0.1719	0.1719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0845	0.3212	0.3212
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0477	0.1719	0.1719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.5293	0.5293
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0163	0.0446	0.0446
Giardia lamblia	Hypothetical protein	0.0163	0.0446	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0314	0.106	0.106
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1361	0.5302	0.5302
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2004	0.791	0.791
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.252	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0163	0.0446	0.0446
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0845	0.3212	0.3212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2151	0.8507	0.8507
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0163	0.0446	0.0446
Plasmodium vivax	hypothetical protein, conserved	0.0163	0.0446	1
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0163	0.0446	0.0446
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1192	0.4617	0.4617
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2004	0.791	0.791
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0163	0.0446	0.0446
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.0446	0.0446
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0163	0.0446	0.0446
Echinococcus granulosus	serine protein kinase ATM	0.0477	0.1719	0.1719
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0477	0.1719	0.1719
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0163	0.0446	0.0446
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0163	0.0446	0.0446
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1874	0.7383	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1361	0.5302	0.5302
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.252	1	1
Leishmania major	hypothetical protein, conserved	0.0163	0.0446	0.0446
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0163	0.0446	0.0446
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0845	0.3212	0.3212
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0163	0.0446	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0477	0.1719	0.1719
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0163	0.0446	0.0446
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0163	0.0446	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2004	0.791	0.791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1361	0.5302	0.5302
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0422	0.1499	0.1499
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0676	0.2527	0.2527
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1491	0.5829	0.5829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1636	0.6417	0.6417
Loa Loa (eye worm)	hypothetical protein	0.0514	0.1868	0.1868
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0067	0.0067
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0314	0.106	0.106
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0845	0.3212	0.3212
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0074	0.0086	0.0086
Mycobacterium leprae	conserved hypothetical protein	0.0163	0.0446	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0845	0.3212	0.3212
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0477	0.1719	0.1719
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.252	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.252	1	1
Echinococcus multilocularis		0.0163	0.0446	0.0446
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0163	0.0446	0.0446
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0163	0.0446	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0446	0.0446
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0114	0.0114
Loa Loa (eye worm)	phosphatidylinositol 3	0.252	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0531	0.1939	0.2153
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0845	0.3212	0.3212
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.0067	0.0067
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0845	0.3212	0.3212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1506	0.589	0.589
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0845	0.3212	0.3212
Echinococcus multilocularis	serine protein kinase ATM	0.0477	0.1719	0.1719
Echinococcus multilocularis	Zinc finger, PHD finger	0.0163	0.0446	0.0446
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.252	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0845	0.3212	0.3212
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.252	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0477	0.1719	0.1719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2004	0.791	0.791
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0845	0.3212	0.3212
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0477	0.1719	0.1719
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0845	0.3212	0.3212
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0163	0.0446	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0368	0.128	0.128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0845	0.3212	0.3212
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	0.0446
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0477	0.1719	0.1719
Entamoeba histolytica	hypothetical protein	0.0163	0.0446	0.0446
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0163	0.0446	0.0446
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0477	0.1719	0.1719
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0163	0.0446	0.0446
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0163	0.0446	0.0446
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2004	0.791	0.791
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0477	0.1719	0.1719
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0163	0.0446	0.0446
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1361	0.5302	0.5302
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0163	0.0446	0.0446
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.252	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0081	0.0114	0.0114
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1874	0.7383	0.7383
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0163	0.0446	0.0446
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0163	0.0446	0.0446
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1491	0.5829	0.5829
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0053	0	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.0086	0.0086
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1359	0.5293	0.5293
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0446	0.0446
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0163	0.0446	0.0446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1506	0.589	0.589
Trichomonas vaginalis	conserved hypothetical protein	0.0368	0.128	0.128
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0163	0.0446	1
Loa Loa (eye worm)	hypothetical protein	0.0368	0.128	0.128
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0163	0.0446	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.2006	0.7919	0.7919
Loa Loa (eye worm)	phosphatidylinositol 3	0.0163	0.0446	0.0446

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antagonist activity at CB2 receptor in ICR mouse vas deferens assessed as inhibition of JWH-015-stimulated electrically-induced muscle contraction	ChEMBL.	24936232
EC50 (functional)		Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay	ChEMBL.	24936232
EC50 (functional)	= 971 nM	Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay	ChEMBL.	24936232
Inhibition (functional)	< 10 %	Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of amplitude of electrically-stimulated muscle contraction at 10'-7 to 1.8 x 10'-5 M relative to control	ChEMBL.	24936232
Ki (binding)	= 4.6 nM	Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting	ChEMBL.	24936232

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: CHEMBL2022405

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1641541