TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.894 | Formula: C21H17ClFN3O3S
H donors: 1 H acceptors: 4 LogP: 4.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1noc(n1)[C@@](S(=O)(=O)c1ccccc1)([C@H]1Cc2c(C1)c1c([nH]2)ccc(c1)Cl)F
InChi: 1S/C21H17ClFN3O3S/c1-12-24-20(29-26-12)21(23,30(27,28)15-5-3-2-4-6-15)13-9-16-17-11-14(22)7-8-18(17)25-19(16)10-13/h2-8,11,13,25H,9-10H2,1H3/t13-,21+/m1/s1
InChiKey: QZUURSVVTAUZTJ-ASSNKEHSSA-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	nuclear receptor subfamily 1, group H, member 3	Starlite/ChEMBL	References
Homo sapiens	nuclear receptor subfamily 1, group H, member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	nuclear receptor subfamily 1, group H, member 3	387 aa	321 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0421	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0475	0.0392
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Loa Loa (eye worm)	ctsf protein	0.0017	0.0271	0.0187
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0675	0.8378
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0806	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0271	0.0271
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.1659	0.8997
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0229	0.0229
Leishmania major	GTP-binding protein, putative	0.0021	0.0421	0.0952
Schistosoma mansoni	pyruvate kinase	0.0033	0.0806	0.0806
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0435	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0806	0.1229
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.1844	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0435	0.0435
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0435	0.0663
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0435	0.0435
Schistosoma mansoni	pyruvate kinase	0.0017	0.0273	0.0273
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0229	0.0229
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0435	0.0435
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0421	0.5222
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0271	0.5502
Brugia malayi	RNA, U transporter 1	0.0083	0.2452	0.3738
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0229	0.0144
Plasmodium falciparum	pyruvate kinase	0.0033	0.0806	1
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0435	0.0435
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0806	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0086	0.0132
Entamoeba histolytica	Ran family GTPase	0.0021	0.0421	0.8537
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0271	0.0414
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0435	0.0539
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Echinococcus granulosus	pyruvate kinase	0.0033	0.0806	0.0806
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0435	0.0663
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0806	0.0726
Plasmodium vivax	vivapain-2	0.0017	0.0271	0.3366
Schistosoma mansoni	hypothetical protein	0.0016	0.0229	0.0229
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0271	0.0286
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0435	0.0435
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0435	0.0352
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0475	0.9632
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0435	0.0663
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0493	0.1411
Onchocerca volvulus		0.0017	0.0271	0.0286
Leishmania major	pyruvate kinase	0.0033	0.0806	0.3401
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0271	0.0286
Echinococcus granulosus	cathepsin l1	0.0011	0.0086	0.0086
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0421	0.5222
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0229	0.0229
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0086	0.1071
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0806	0.4372
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1347	0.2054
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0435	0.0435
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0245	0.0245
Brugia malayi	hypothetical protein	0.0016	0.0245	0.0373
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0435	0.0435
Leishmania major	pyruvate kinase	0.0033	0.0806	0.3401
Giardia lamblia	Pyruvate kinase	0.0033	0.0806	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0475	0.0392
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0245	0.016
Brugia malayi	MH2 domain containing protein	0.0101	0.3047	0.4645
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0271	0.5502
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0435	0.0435
Echinococcus granulosus	pyruvate kinase	0.0017	0.0273	0.0273
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.001	0.0043	0.0065
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0421	0.2283
Loa Loa (eye worm)	cysteine protease	0.0017	0.0271	0.0187
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0271	0.3366
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0421	0.2769
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0675	0.3663
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0271	0.0187
Brugia malayi	ecdysteroid receptor	0.0207	0.6561	1
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0273	0.3392
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0435	0.0663
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0435	0.0435
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0493	0.2675
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0245	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0435	0.0663
Schistosoma mansoni	hypothetical protein	0.0034	0.083	0.083
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0806	0.0726
Echinococcus granulosus	cathepsin l1	0.0017	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1347	0.2054
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0435	0.0352
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0435	0.0663
Brugia malayi	hypothetical protein	0.0016	0.0245	0.0373
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0435	0.0435
Entamoeba histolytica	hypothetical protein	0.0024	0.0493	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0493	0.6117
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0806	0.1112
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0245	0.0373
Brugia malayi	cathepsin L-like precursor	0.0011	0.0086	0.0132
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0435	0.0352
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0435	0.0435
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0435	0.0435
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0229	0.0349
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0435	0.0435
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0421	0.2283
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0273	0.0273
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0675	0.0675
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0421	0.0421
Leishmania major	cathepsin L-like protease	0.0064	0.1844	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1347	0.1272
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0421	0.0338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	steroid hormone receptor	0.0022	0.0435	0.0663
Onchocerca volvulus		0.0017	0.0271	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0675	0.0594
Loa Loa (eye worm)	transcription factor SMAD2	0.0101	0.3047	0.2987
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0271	0.0271
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0806	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.1844	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0435	0.0663
Plasmodium vivax	vivapain-2	0.0017	0.0271	0.3366
Onchocerca volvulus		0.0017	0.0271	0.0286
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0435	0.0435
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0435	0.0663
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0271	0.0271
Echinococcus multilocularis	cysteine protease	0.0017	0.0271	0.0271
Schistosoma mansoni	hypothetical protein	0.0016	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0207	0.6561	0.6531
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0273	0.3392
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0271	0.3366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0435	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0435	0.0663
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1347	0.1272
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0086	0.0086
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0271	0.5502
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0271	0.0271
Onchocerca volvulus		0.0017	0.0271	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0245	0.0245
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0806	0.1112
Plasmodium falciparum	importin beta, putative	0.0029	0.0675	0.8378
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0435	0.0435
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0271	0.0187
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0271	0.0271
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.1388	0.7525
Schistosoma mansoni	hypothetical protein	0.0016	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0271	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0034	0.083	0.075
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0435	0.0435
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0435	0.0663
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.1844	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0271	0.0271
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0435	0.0352
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0806	0.0726
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0675	0.7555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0435	0.0435
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0229	0.0229
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0245	0.0245
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0675	0.3663
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0806	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0435	0.0663
Echinococcus granulosus	pyruvate kinase	0.0017	0.0273	0.0273
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0271	0.0271
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0493	0.6117
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Schistosoma mansoni	coup transcription factor	0.0022	0.0435	0.0435
Onchocerca volvulus		0.0017	0.0271	0.0286
Onchocerca volvulus	Bile acid receptor homolog	0.0207	0.6561	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0806	0.1112
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	nuclear hormone receptor	0.0022	0.0435	0.0663
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0086	0.1751
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0493	0.6117
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0806	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0271	0.0286
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0806	0.4372
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0435	0.0663
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0435	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0435	0.0352
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0086	0.0132
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0435	0.0435
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0435	0.0435
Echinococcus granulosus	GPCR family 2	0.0016	0.0229	0.0229
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0273	0.0273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0435	0.0435
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0435	0.0435
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0421	0.2798
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0086	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0435	0.0663
Loa Loa (eye worm)	fibroinase	0.0017	0.0271	0.0187
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0271	0.3366
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0576	0.0576
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0435	0.0539
Schistosoma mansoni	pyruvate kinase	0.0033	0.0806	0.0806
Schistosoma mansoni	importin beta-1	0.0029	0.0675	0.0675
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0806	1
Leishmania major	cathepsin L-like protease	0.0064	0.1844	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.016
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.016
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0086	0.0132
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0421	0.2283
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0245	0.0245
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.1844	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0806	0.0726
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Schistosoma mansoni	ran	0.0021	0.0421	0.0421
Brugia malayi	Importin beta-1 subunit	0.0029	0.0675	0.103
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0806	0.4372
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0435	0.0435
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0271	0.0271
Onchocerca volvulus		0.0017	0.0271	0.0286
Schistosoma mansoni	ran	0.0021	0.0421	0.0421
Echinococcus granulosus	pyruvate kinase	0.0033	0.0806	0.0806
Leishmania major	cathepsin L-like protease	0.0064	0.1844	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0101	0.3047	0.2987
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0271	0.0271
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0435	0.0663
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0435	0.0663
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0806	0.0806
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0229	0.0349
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0421	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.016
Brugia malayi	nuclear receptor RXR	0.0016	0.0245	0.0373
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0229	0.0229
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.083	0.1265
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0271	0.1472
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0271	0.0414
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0435	0.0435
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0273	0.004
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0271	0.3366
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0064	0.1844	1
Onchocerca volvulus		0.0022	0.0435	0.0539
Schistosoma mansoni	hypothetical protein	0.0016	0.0229	0.0229
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0806	0.0806
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0435	0.0435
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0435	0.0435
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0806	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0435	0.0435
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0806	0.1229
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0435	0.0435
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Onchocerca volvulus		0.0017	0.0271	0.0286
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0806	0.4372
Trichomonas vaginalis	ran, putative	0.0021	0.0421	0.5222
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0229	0.0144
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0273	0.0273
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0435	0.0435
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0435	0.0352
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0271	0.3366
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0806	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0435	0.0663
Echinococcus granulosus	pyruvate kinase	0.0017	0.0273	0.0273
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0435	0.0663
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0271	0.3366
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0435	0.0435
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0435	0.0435
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0675	0.0675

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.21 uM	Transactivation of LXRbeta	ChEMBL.	19231176
EC50 (binding)	= 1.09 uM	Transactivation of LXRalpha	ChEMBL.	19231176
IC50 (binding)	= 0.027 uM	Binding affinity to LXRbeta	ChEMBL.	19231176
IC50 (binding)	= 0.21 uM	Binding affinity to LXRalpha	ChEMBL.	19231176

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: CHEMBL462447

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1187414