TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 734.971 | Formula: C38H50N6O5S2
H donors: 4 H acceptors: 6 LogP: 6.42 Rotable bonds: 23
Rule of 5 violations (Lipinski): 2
SMILES: CC(CN(C(=O)NC(C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)OCc1cncs1)O)C)Cc1csc(n1)C(C)C)C
InChi: 1S/C38H50N6O5S2/c1-25(2)20-44(21-31-23-50-36(42-31)26(3)4)37(47)40-27(5)35(46)41-30(16-28-12-8-6-9-13-28)18-34(45)33(17-29-14-10-7-11-15-29)43-38(48)49-22-32-19-39-24-51-32/h6-15,19,23-27,30,33-34,45H,16-18,20-22H2,1-5H3,(H,40,47)(H,41,46)(H,43,48)/t27?,30-,33-,34-/m0/s1
InChiKey: LMTAQPJKAHXXDO-QVPKRXLESA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0044	0.0038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0044	0.0112
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0044	0.0102
Echinococcus granulosus	lysine specific demethylase 5A	0.0062	0.0548	0.1445
Onchocerca volvulus		0.0304	0.3422	1
Brugia malayi	nuclear hormone receptor	0.002	0.0044	0.0129
Entamoeba histolytica	aldose reductase, putative	0.0304	0.3422	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0017	0.0131
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0044	0.0129
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0044	0.0102
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0087	0.0207
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0044	0.0129
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0304	0.3422	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0088	0.0855	0.2487
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0087	0.0207
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0105	0.029
Echinococcus granulosus	aldehyde reductase	0.0216	0.2376	0.6319
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0044	0.0102
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0087	0.0239
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0044	0.0102
Trypanosoma brucei	aldo/keto reductase, putative	0.0088	0.0855	0.2487
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0105	0.029
Echinococcus granulosus	aldo keto reductase	0.0304	0.3422	0.911
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0087	0.0239
Mycobacterium ulcerans	hypothetical protein	0.0088	0.0855	0.2462
Loa Loa (eye worm)	oxidoreductase	0.0304	0.3422	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.3422	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Trypanosoma cruzi	aldo/keto reductase, putative	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase	0.0304	0.3422	0.3419
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0044	0.0112
Onchocerca volvulus		0.0304	0.3422	1
Brugia malayi	jmjC domain containing protein	0.0017	0.0006	0.0017
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0105	0.029
Toxoplasma gondii	aldose reductase, putative	0.0304	0.3422	1
Brugia malayi	jmjC domain containing protein	0.0017	0.0006	0.0017
Mycobacterium tuberculosis	Probable oxidoreductase	0.0304	0.3422	1
Brugia malayi	jmjC domain containing protein	0.0017	0.0006	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0033
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0044	0.0102
Onchocerca volvulus		0.0304	0.3422	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0088	0.0855	0.2266
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0087	0.0255
Loa Loa (eye worm)	oxidoreductase	0.0304	0.3422	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0044	0.0129
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0087	0.0207
Echinococcus multilocularis	aldo keto reductase	0.0304	0.3422	0.3419
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0105	0.1167
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0044	0.0129
Schistosoma mansoni	coup transcription factor	0.002	0.0044	0.0102
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0044	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0033
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0088	0.0855	0.2487
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0044	0.0102
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0044	0.0038
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0087	0.0207
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0017	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0087	0.0239
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0044	0.0129
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0044	0.0129
Mycobacterium leprae	Conserved hypothetical protein	0.0216	0.2376	0.6861
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0304	0.3422	1
Entamoeba histolytica	aldose reductase, putative	0.0304	0.3422	1
Brugia malayi	hypothetical protein	0.0025	0.0105	0.0307
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0261	0.068
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Loa Loa (eye worm)	oxidoreductase	0.0304	0.3422	1
Mycobacterium tuberculosis	Conserved protein	0.0088	0.0855	0.2487
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Onchocerca volvulus		0.0304	0.3422	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0044	0.0102
Plasmodium falciparum	aldehyde reductase, putative	0.0088	0.0855	1
Loa Loa (eye worm)	oxidoreductase	0.0304	0.3422	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0088	0.0855	0.2487
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0033
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0044	0.0102
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0044	0.0102
Leishmania major	hypothetical protein, conserved	0.0025	0.0105	0.029
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0044	0.0038
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0044	0.0102
Plasmodium vivax	aldehyde reductase, putative	0.0088	0.0855	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0304	0.3422	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0088	0.0855	0.2303
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0088	0.0855	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0304	0.3422	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0261	0.052
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0033
Trypanosoma brucei	aldo-keto reductase, putative	0.0304	0.3422	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0087	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0105	0.029
Brugia malayi	jmjC domain containing protein	0.0062	0.0548	0.1601
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0044	0.0129
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0087	0.0207
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0044	0.0102
Giardia lamblia	Aldose reductase	0.0304	0.3422	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0044	0.0129
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0087	0.0239
Echinococcus granulosus	geminin	0.0332	0.3756	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0261	0.052
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0304	0.3422	1
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0044	0.0102
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0044	0.0129
Brugia malayi	jmjC domain containing protein	0.0062	0.0548	0.1601
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0261	0.0255
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0261	0.068
Giardia lamblia	Aldose reductase	0.0304	0.3422	0.5
Trichomonas vaginalis	aldo/keto reductase, putative	0.0304	0.3422	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0044	0.0112
Brugia malayi	steroid hormone receptor	0.002	0.0044	0.0129
Schistosoma mansoni	hypothetical protein	0.0332	0.3756	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0044	0.0102
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0044	0.0102
Plasmodium falciparum	aldo-keto reductase, putative	0.0088	0.0855	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0088	0.0855	0.2487
Entamoeba histolytica	hypothetical protein	0.0038	0.0261	0.052
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0087	0.0239
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0304	0.3422	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0087	0.0255
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0044	0.0038
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0044	0.0038
Echinococcus granulosus	hypothetical protein	0.0304	0.3422	0.911
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0044	0.0129
Schistosoma mansoni	jumonji domain containing protein	0.0062	0.0548	0.1445
Echinococcus multilocularis	aldehyde reductase	0.0216	0.2376	0.2371
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0087	0.0207
Schistosoma mansoni	potassium channel beta	0.0088	0.0855	0.2266
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1187	0.3456
Echinococcus granulosus	aldo keto reductase	0.0304	0.3422	0.911
Schistosoma mansoni	pol-related	0.0304	0.3422	0.911
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0105	0.1167
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Leishmania major	prostaglandin f synthase, putative	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase	0.0304	0.3422	0.3419
Brugia malayi	NADH-dependent xylose reductase	0.0088	0.0855	0.25
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0044	0.0112
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0044	0.0102
Entamoeba histolytica	aldose reductase, putative	0.0304	0.3422	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0017	0.0033
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0105	0.029
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Echinococcus multilocularis	geminin	0.0332	0.3756	0.3752
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0044	0.0102
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0088	0.0855	0.085
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0087	0.0207
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0087	0.0239
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0044	0.0102
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0044	0.0129
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1187	0.3456
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Loa Loa (eye worm)	oxidoreductase	0.0304	0.3422	1
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0044	0.0102
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0062	0.0548	0.0542
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0044	0.0102
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0044	0.0038
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0088	0.0855	0.2303
Schistosoma mansoni	hypothetical protein	0.0038	0.0261	0.068
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0088	0.0855	0.25
Entamoeba histolytica	hypothetical protein	0.0038	0.0261	0.052
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.0548	0.1445
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0088	0.0855	0.2487
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0044	0.0102
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0087	0.0239
Brugia malayi	jmjC domain containing protein	0.0017	0.0006	0.0017
Brugia malayi	ecdysteroid receptor	0.002	0.0044	0.0129
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0087	0.0239
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0044	0.0129
Echinococcus multilocularis	aldo keto reductase	0.0304	0.3422	0.3419
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0304	0.3422	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0044	0.0129
Trypanosoma cruzi	aldo-keto reductase	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0044	0.0038
Onchocerca volvulus		0.0023	0.0087	0.0128
Toxoplasma gondii	aldo-keto reductase	0.0088	0.0855	0.2487
Mycobacterium leprae	Possible oxidoreductase	0.0088	0.0855	0.2303
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0044	0.0129
Onchocerca volvulus		0.0304	0.3422	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0017	0.0131
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0044	0.0112
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0088	0.0855	0.2266
Schistosoma mansoni	aldo-keto reductase	0.0304	0.3422	0.911
Trichomonas vaginalis	aldo/keto reductase, putative	0.0304	0.3422	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0105	0.1167
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Brugia malayi	MH2 domain containing protein	0.0116	0.1187	0.3467
Echinococcus multilocularis	lysine specific demethylase 5A	0.0062	0.0548	0.0542
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0044	0.0102
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0304	0.3422	1
Schistosoma mansoni	aldo-keto reductase	0.0304	0.3422	0.911
Trichomonas vaginalis	aldo/keto reductase, putative	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0017	0.0033
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0044	0.0038
Brugia malayi	nuclear receptor NHR-88	0.002	0.0044	0.0129
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0044	0.0129
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0087	0.0207
Loa Loa (eye worm)	hypothetical protein	0.002	0.0044	0.0112
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0044	0.0112
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0548	0.1587
Onchocerca volvulus		0.0304	0.3422	1
Trypanosoma brucei	prostaglandin f synthase	0.0304	0.3422	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0304	0.3422	1
Echinococcus granulosus	aldo keto reductase	0.0304	0.3422	0.911
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0304	0.3422	0.3419
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.0548	0.1445
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Mycobacterium ulcerans	oxidoreductase	0.0304	0.3422	1
Schistosoma mansoni	hypothetical protein	0.0332	0.3756	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0304	0.3422	1
Brugia malayi	hypothetical protein	0.0038	0.0261	0.0762
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0304	0.3422	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0304	0.3422	0.911
Leishmania major	aldo-keto reductase-like protein	0.0304	0.3422	1
Onchocerca volvulus		0.0088	0.0855	0.2402
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0044	0.0112
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0062	0.0548	0.1445
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0044	0.0038
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0044	0.0112

Activities

Activity type	Activity value	Assay description	Source	Reference
CCIC50 (ADMET)	= 17 uM	Cytotoxicity was determined against uninfected MT-4 cells	ChEMBL.	9484509
EC50 (functional)	= 0.18 uM	Effective concentration required for the inhibition of HIV-1 IIIB in MT-4 cells	ChEMBL.	9484509
Inhibition (binding)	= 54 %	Inhibition of purified recombinant HIV-1 protease at 0.5 nm using a fluorogenic substrate	ChEMBL.	9484509
Inhibition (binding)	= 54 %	Inhibition of purified recombinant HIV-1 protease at 0.5 nm using a fluorogenic substrate	ChEMBL.	9484509

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: CHEMBL155457

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 267114