TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.918 | Formula: C24H23ClN4O2
H donors: 3 H acceptors: 2 LogP: 4.75 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(NCCNC(=O)NCc1ccccc1)c1c(n2)cc(cc1)Cl
InChi: 1S/C24H23ClN4O2/c1-31-18-8-10-21-20(14-18)23(19-9-7-17(25)13-22(19)29-21)26-11-12-27-24(30)28-15-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,26,29)(H2,27,28,30)
InChiKey: OTXFORIDNRCPAX-UHFFFAOYSA-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
Trypanosoma cruzi	trypanothione reductase, putative	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	trypanothione reductase, putative	492 aa	548 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	pyruvate kinase	0.0035	0.0026	0.0015
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0036	0.2896
Plasmodium falciparum	glutathione reductase	0.0076	0.0095	1
Chlamydia trachomatis	pyruvate kinase	0.0035	0.0026	1
Trypanosoma cruzi	cytochrome P450, putative	0.0104	0.0142	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0135	0.0193	0.0182
Leishmania major	cytochrome p450-like protein	0.003	0.0018	0.0462
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0026	0.6049
Brugia malayi	jmjC domain containing protein	0.0062	0.0071	0.0071
Giardia lamblia	Pyruvate kinase	0.0035	0.0026	0.0032
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.003	0.0018	0.0462
Loa Loa (eye worm)	cytochrome P450 family protein	0.0104	0.0142	0.0134
Loa Loa (eye worm)	CYP4Cod1	0.0104	0.0142	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0092	0.0083
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.003	0.0018	0.0723
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.003	0.0018	0.0723
Brugia malayi	Cytochrome P450 family protein	0.003	0.0018	0.0018
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0036	0.2896
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.003	0.0018	0.0462
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.003	0.0018	0.0462
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0036	0.0024
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.003	0.0018	0.0462
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.003	0.0018	0.0462
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0031	0.0019
Echinococcus granulosus	cytochrome P450 2K1	0.003	0.0018	0.0006
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.003	0.0018	0.0723
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.003	0.0018	0.0723
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.003	0.0018	0.0723
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.003	0.0018	0.0723
Entamoeba histolytica	hypothetical protein	0.0038	0.0031	1
Brugia malayi	Cytochrome P450 family protein	0.003	0.0018	0.0018
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0012	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.003	0.0018	0.4127
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0026	0.0015
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.003	0.0018	0.0723
Leishmania major	cytochrome p450-like protein	0.0104	0.0142	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0036	1
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.5993	1	1
Schistosoma mansoni	hypothetical protein	0.003	0.0018	0.0006
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.0071	0.0059
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0035	0.0026	0.0026
Echinococcus multilocularis	ceramide glucosyltransferase	0.5993	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0062	0.0071	0.0059
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.003	0.0018	0.0723
Schistosoma mansoni	ceramide glucosyltransferase	0.5993	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0026	0.0018
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.003	0.0018	0.0462
Echinococcus multilocularis	geminin	0.0178	0.0266	0.0255
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.003	0.0018	0.0462
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.003	0.0018	0.0723
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0026	0.0012	0.0012
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0.0026	1
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.003	0.0018	0.0462
Trypanosoma brucei	pyruvate kinase 1	0.0035	0.0026	0.112
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.003	0.0018	0.0462
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0026	0.0018
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.003	0.0018	0.0462
Brugia malayi	cytochrome P450	0.003	0.0018	0.0018
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.003	0.0018	0.0723
Plasmodium falciparum	histone acetyltransferase GCN5	0.0037	0.003	0.2213
Treponema pallidum	NADH oxidase	0.0026	0.0012	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0104	0.0142	1
Brugia malayi	Cytochrome P450 family protein	0.0104	0.0142	0.0142
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.003	0.0018	0.0462
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.0071	0.0059
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0014	0.0002
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.003	0.0018	0.0723
Schistosoma mansoni	hypothetical protein	0.0178	0.0266	0.0255
Trypanosoma cruzi	cytochrome P450, putative	0.0104	0.0142	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0035	0.0026	0.0026
Schistosoma mansoni	hypothetical protein	0.0038	0.0031	0.0019
Brugia malayi	glutathione reductase	0.0076	0.0095	0.0095
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.003	0.0018	0.0462
Brugia malayi	acetyltransferase, GNAT family protein	0.0139	0.02	0.02
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0018	0.0009
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0036	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0031	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0062	0.0071	0.0059
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.003	0.0018	0.0723
Echinococcus granulosus	geminin	0.0178	0.0266	0.0255
Brugia malayi	jmjC domain containing protein	0.0062	0.0071	0.0071
Leishmania major	cytochrome p450-like protein	0.003	0.0018	0.0462
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0139	0.02	0.0188
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.003	0.0018	0.0462
Entamoeba histolytica	hypothetical protein	0.0038	0.0031	1
Echinococcus granulosus	ceramide glucosyltransferase	0.5993	1	1
Loa Loa (eye worm)	cytochrome P450	0.003	0.0018	0.0009
Echinococcus multilocularis		0.003	0.0018	0.0006
Entamoeba histolytica	acetyltransferase, GNAT family	0.0037	0.003	0.9656
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0031	0.0019
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0026	0.112
Brugia malayi	hypothetical protein	0.0038	0.0031	0.0031
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0026	0.0015
Schistosoma mansoni	pyruvate kinase	0.0035	0.0026	0.0015
Loa Loa (eye worm)	acetyltransferase	0.0139	0.02	0.0191
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0026	0.0018
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.0026	0.1752
Brugia malayi	Thioredoxin reductase	0.0076	0.0095	0.0095
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.003	0.0018	0.0723
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.003	0.0018	0.0462
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.003	0.0018	0.0462
Schistosoma mansoni	jumonji domain containing protein	0.0062	0.0071	0.0059
Loa Loa (eye worm)	thioredoxin reductase	0.0076	0.0095	0.0087
Loa Loa (eye worm)	glutathione reductase	0.0076	0.0095	0.0087
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0026	0.6049
Giardia lamblia	Histone acetyltransferase GCN5	0.0037	0.003	0.0041
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.0026	0.1752
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0076	0.0095	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0062	0.0071	0.0059
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.003	0.0018	0.0462
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0139	0.02	0.0188
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0076	0.0095	0.0083
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0036	0.2896
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0.0012	0.5
Giardia lamblia	Ceramide glucosyltransferase	0.2717	0.4516	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.003	0.0018	0.0723
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.003	0.0018	0.0462
Schistosoma mansoni	pyruvate kinase	0.0035	0.0026	0.0015
Leishmania major	pyruvate kinase	0.0035	0.0026	0.112
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.003	0.0018	0.0723
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.003	0.0018	0.0462
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.003	0.0018	0.0462
Toxoplasma gondii	thioredoxin reductase	0.0076	0.0095	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0026	0.0018
Trypanosoma brucei	cytochrome P450, putative	0.0104	0.0142	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0026	0.112
Loa Loa (eye worm)	cytochrome P450 family protein	0.0104	0.0142	0.0134
Schistosoma mansoni	hypothetical protein	0.0178	0.0266	0.0255
Schistosoma mansoni	ceramide glucosyltransferase	0.5993	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0062	0.0071	0.0059
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.003	0.0018	0.0723
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.003	0.0018	0.0462
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.003	0.0018	0.0462
Plasmodium vivax	thioredoxin reductase, putative	0.0076	0.0095	1
Echinococcus granulosus	pyruvate kinase	0.0035	0.0026	0.0015
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.003	0.0018	0.0462
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0071	0.0063
Brugia malayi	Cytochrome P450 family protein	0.0104	0.0142	0.0142
Plasmodium falciparum	thioredoxin reductase	0.0076	0.0095	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0031	0.0019
Trypanosoma brucei	pyruvate kinase 1, putative	0.0035	0.0026	0.112
Entamoeba histolytica	hypothetical protein	0.0038	0.0031	1
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.0026	0.112
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.003	0.0018	0.0462
Plasmodium falciparum	pyruvate kinase	0.0035	0.0026	0.1752
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.003	0.0018	0.0723
Mycobacterium leprae	putative cytochrome p450	0.003	0.0018	0.4127
Plasmodium vivax	glutathione reductase, putative	0.0076	0.0095	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.003	0.0018	0.0723
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.003	0.0018	0.0723
Toxoplasma gondii	cytochrome p450 superfamily protein	0.003	0.0018	0.0723
Trypanosoma brucei	trypanothione reductase	0.0076	0.0095	0.6393
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.003	0.0018	0.0462
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.003	0.0018	0.0723
Trypanosoma cruzi	trypanothione reductase, putative	0.0076	0.0095	0.6393
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.003	0.0018	0.0462
Loa Loa (eye worm)	ceramide glucosyltransferase	0.5993	1	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0076	0.0095	0.0083
Leishmania major	trypanothione reductase	0.0076	0.0095	0.6393
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.0026	0.1752
Schistosoma mansoni	cytochrome P450	0.003	0.0018	0.0006
Leishmania major	pyruvate kinase	0.0035	0.0026	0.112

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 ug ml-1	Anti parasitic activity of the compound against P. falciparum K1; ND = Not determined	ChEMBL.	11551771
ED50 (functional)	= 0.069 ug ml-1	Anti parasitic activity of the compound against P. falciparum 3D7	ChEMBL.	11551771
ED50 (functional)	= 0.069 ug ml-1	Anti parasitic activity of the compound against P. falciparum 3D7	ChEMBL.	11551771
ED50 (functional)	= 0.42 ug ml-1	Anti parasitic activity of the compound against T. brucei	ChEMBL.	11551771
ED50 (functional)	= 0.42 ug ml-1	Anti parasitic activity of the compound against T. brucei	ChEMBL.	11551771
ED50 (functional)	= 4.1 ug ml-1	Toxicity of the quinacrine derivatives was determined against the KB cell line in comparison to podophyllotoxin	ChEMBL.	11551771
ED50 (functional)	= 4.1 ug ml-1	Toxicity of the quinacrine derivatives was determined against the KB cell line in comparison to podophyllotoxin	ChEMBL.	11551771
ED50 (functional)	= 10.7 ug ml-1	Anti parasitic activity of the compound against L. donovani (cultured in murine macrophages)	ChEMBL.	11551771
ED50 (functional)	= 10.7 ug ml-1	Anti parasitic activity of the compound against L. donovani (cultured in murine macrophages)	ChEMBL.	11551771
ED50 (functional)	> 30 ug ml-1	Anti parasitic activity of the compound against T. cruzi (cultured in murine macrophages)	ChEMBL.	11551771
ED50 (functional)	> 30 ug ml-1	Anti parasitic activity of the compound against T. cruzi (cultured in murine macrophages)	ChEMBL.	11551771
IC50 (binding)	= 19.3 uM	Inhibitory concentration of the compound against trypanothione reductase was determined	ChEMBL.	11551771
IC50 (binding)	= 19.3 uM	Inhibitory concentration of the compound against trypanothione reductase was determined	ChEMBL.	11551771
IC50 (binding)	= 27.2 uM	Inhibitory concentration of the compound against human Glutathione reductase was determined	ChEMBL.	11551771
IC50 (binding)	= 27.2 uM	Inhibitory concentration of the compound against human Glutathione reductase was determined	ChEMBL.	11551771
Selectivity (binding)	= 1.4	Ratio of Inhibitory activity against glutathione eductaseand inhibitory activity against trypanothione reductase was determined	ChEMBL.	11551771

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: CHEMBL277840

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 147954