TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.428 | Formula: C21H23F3N4O2
H donors: 1 H acceptors: 3 LogP: 1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1(CC1)C(=O)N1CC2C(C1)N(CC2)C(=O)CC(Cc1cc(F)c(cc1F)F)N
InChi: 1S/C21H23F3N4O2/c22-15-8-17(24)16(23)6-13(15)5-14(26)7-19(29)28-4-1-12-9-27(10-18(12)28)20(30)21(11-25)2-3-21/h6,8,12,14,18H,1-5,7,9-10,26H2
InChiKey: NDMMXUDYKKQNKW-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
Rattus norvegicus	Dipeptidyl peptidase IV	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	Get druggable targets OG5_128614	All targets in OG5_128614
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Dipeptidyl peptidase IV	767 aa	637 aa	27.0 %
Onchocerca volvulus		Dipeptidyl peptidase IV	767 aa	789 aa	30.2 %
Candida albicans	dipeptidyl aminopeptidase similar to S. cerevisiae STE13 (YOR219C) involved in maturation of alpha-factor	Dipeptidyl peptidase IV	767 aa	814 aa	25.6 %
Candida albicans	dipeptidyl aminopeptidase similar to S. cerevisiae STE13 (YOR219C) involved in maturation of alpha-factor	Dipeptidyl peptidase IV	767 aa	814 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1333	0.1333
Plasmodium vivax	heat shock protein 90, putative	0.0029	0.0652	0.0928
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.007	0.2561	0.3646
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Brugia malayi	MH2 domain containing protein	0.0114	0.4607	0.4607
Echinococcus granulosus	heat shock protein	0.0044	0.1336	0.1484
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0068	0.0068
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0814	0.0814
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0068	0.026
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0068	0.0095
Schistosoma mansoni	heat shock protein	0.0029	0.0652	0.0725
Mycobacterium ulcerans	heat shock protein 90	0.0041	0.1211	1
Echinococcus multilocularis	endoplasmin	0.0041	0.1211	0.1345
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma cruzi	heat shock protein 90, putative	0.0038	0.1042	0.4066
Loa Loa (eye worm)	prolyl oligopeptidase	0.0017	0.0068	0.0068
Trypanosoma brucei	oligopeptidase b	0.0017	0.0068	0.026
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.0033	0.0814	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0814	0.0814
Plasmodium falciparum	heat shock protein 90, putative	0.0167	0.702	1
Toxoplasma gondii	Hsp90 domain-containing protein	0.0167	0.702	1
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0068	0.0068
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0068	0.0068
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0038	0.1042	0.768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1333	0.148
Trypanosoma brucei	heat shock protein 90, putative	0.0044	0.1336	0.5215
Echinococcus granulosus	heat shock protein 90	0.0044	0.1336	0.1484
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0419	0.1634
Schistosoma mansoni	hypothetical protein	0.0162	0.6833	0.7592
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0017	0.0068	0.0095
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0041	0.1211	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1515	0.1515
Loa Loa (eye worm)	endoplasmin	0.0044	0.1336	0.1336
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0068	0.026
Trypanosoma cruzi	heat shock protein 85, putative	0.0044	0.1336	0.5215
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0209	0.9001	0.8994
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.007	0.2561	1
Entamoeba histolytica	hypothetical protein	0.0034	0.0898	0.6549
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0017	0.0068	0.055
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.0777	0.5595
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1333	0.148
Plasmodium falciparum	heat shock protein 90, putative	0.0026	0.0483	0.0686
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.1042	0.4066
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0029	0.0652	0.0589
Entamoeba histolytica	hypothetical protein	0.0034	0.0898	0.6549
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1333	0.1333
Trichomonas vaginalis	heat shock protein, putative	0.0038	0.1042	0.768
Echinococcus granulosus	Dipeptidyl peptidase 9	0.007	0.2561	0.2845
Brugia malayi	prolyl oligopeptidase family protein	0.007	0.2561	0.2561
Trichomonas vaginalis	heat shock protein, putative	0.0041	0.1211	0.9013
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0001	0.0001
Toxoplasma gondii	heat shock protein HSP90	0.0044	0.1336	0.1902
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0029	0.0652	0.0725
Loa Loa (eye worm)	MH2 domain-containing protein	0.0114	0.4607	0.4607
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.007	0.2561	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0044	0.1336	0.5215
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0001	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1333	0.148
Toxoplasma gondii	hypothetical protein	0.0017	0.0068	0.0095
Entamoeba histolytica	heat shock protein 90, putative	0.0044	0.1336	1
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Echinococcus granulosus	endoplasmin	0.0041	0.1211	0.1345
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0068	0.0075
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Schistosoma mansoni	endoplasmin	0.0044	0.1336	0.1484
Brugia malayi	prolyl oligopeptidase family protein	0.0209	0.9001	0.9001
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0034	0.0898	0.0998
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0209	0.9001	1
Toxoplasma gondii	heat shock protein 90, putative	0.0044	0.1336	0.1902
Mycobacterium tuberculosis	Probable peptidase	0.0017	0.0068	0.055
Leishmania major	heat shock protein, putative	0.0029	0.0652	0.2544
Onchocerca volvulus		0.0231	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1333	0.148
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.007	0.2561	0.2845
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0017	0.0068	0.026
Plasmodium falciparum	heat shock protein 90	0.0044	0.1336	0.1902
Echinococcus multilocularis	prolyl endopeptidase	0.0017	0.0068	0.0075
Loa Loa (eye worm)	heat shock protein 75	0.0029	0.0652	0.0652
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0017	0.0068	0.0075
Trypanosoma brucei	heat shock protein 84, putative	0.0029	0.0652	0.2544
Loa Loa (eye worm)	heat shock protein 90	0.0044	0.1336	0.1336
Schistosoma mansoni	transcription factor LCR-F1	0.0034	0.0898	0.0998
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0034	0.0898	0.0998
Plasmodium falciparum	peptidase, putative	0.0017	0.0068	0.0095
Schistosoma mansoni	hypothetical protein	0.0034	0.0898	0.0998
Brugia malayi	Hsp90 protein	0.0029	0.0652	0.0652
Entamoeba histolytica	heat shock protein 90, putative	0.0044	0.1336	1
Echinococcus granulosus	heat shock protein 90	0.0038	0.1042	0.1157
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0068	0.0075
Leishmania major	hypothetical protein, conserved	0.0024	0.0419	0.1634
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0419	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1515	0.1515
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0029	0.0652	0.0725
Brugia malayi	hypothetical protein	0.0024	0.0419	0.0419
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trichomonas vaginalis	endoplasmin, putative	0.0032	0.0777	0.5595
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0068	0.026
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Trypanosoma cruzi	heat shock protein 85, putative	0.0044	0.1336	0.5215
Trichomonas vaginalis	heat shock protein, putative	0.0044	0.1336	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.007	0.2561	1
Brugia malayi	hypothetical protein	0.0016	0.0022	0.0022
Echinococcus granulosus	prolyl endopeptidase	0.0017	0.0068	0.0075
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.007	0.2561	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0017	0.0068	0.026
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0017	0.0068	0.026
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0041	0.1211	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1333	0.148
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0017	0.0068	0.0075
Brugia malayi	Endoplasmin precursor	0.0044	0.1336	0.1336
Plasmodium vivax	heat shock protein 86, putative	0.0044	0.1336	0.1902
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0419	0.0596
Entamoeba histolytica	hypothetical protein	0.0034	0.0898	0.6549
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0419	0.0596
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Loa Loa (eye worm)	prolyl oligopeptidase	0.0209	0.9001	0.9001
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0068	0.026
Plasmodium vivax	heat shock protein, putative	0.0167	0.702	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0114	0.4607	0.4607
Trypanosoma brucei	heat shock protein 90, putative	0.0044	0.1336	0.5215
Toxoplasma gondii	heat shock protein 75, putative	0.0029	0.0652	0.0928
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1515	0.1515
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.007	0.2561	0.2845
Toxoplasma gondii	prolyl endopeptidase	0.0017	0.0068	0.0095
Loa Loa (eye worm)	pax transcription factor protein 2	0.0231	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0419	0.1634
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1333	0.148
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0419	0.0419
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0041	0.1211	0.4726
Schistosoma mansoni	heat shock protein	0.0044	0.1336	0.1484
Trypanosoma cruzi	heat shock protein, putative	0.0029	0.0652	0.2544
Trypanosoma cruzi	Heat shock protein 83, putative	0.0044	0.1336	0.5215
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1333	0.148
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0044	0.1336	1
Schistosoma mansoni	heat shock protein	0.0044	0.1336	0.1484
Treponema pallidum	heat shock protein 90	0.0041	0.1211	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0041	0.1211	0.9013
Entamoeba histolytica	hypothetical protein	0.0034	0.0898	0.6549
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma brucei	Heat shock protein 83, putative	0.0044	0.1336	0.5215
Brugia malayi	hypothetical protein	0.0054	0.1792	0.1792
Echinococcus multilocularis	geminin	0.0162	0.6833	0.7592
Giardia lamblia	Grp94/Hsp90	0.0041	0.1211	0.9013
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Echinococcus granulosus	acylamino acid releasing enzyme	0.0017	0.0068	0.0075
Trypanosoma cruzi	heat shock protein 85, putative	0.0044	0.1336	0.5215
Schistosoma mansoni	endoplasmin	0.0044	0.1336	0.1484
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0068	0.0068
Brugia malayi	hypothetical protein	0.0034	0.0898	0.0898
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.0483	0.3275
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0209	0.9001	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0419	0.1634
Schistosoma mansoni	hypothetical protein	0.0162	0.6833	0.7592
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0068	0.0075
Trypanosoma cruzi	heat shock protein 90, putative	0.0018	0.0152	0.0588
Leishmania major	oligopeptidase b	0.0017	0.0068	0.026
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0001	0.0001
Echinococcus multilocularis	heat shock protein	0.0044	0.1336	0.1484
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0017	0.0068	0.026
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.007	0.2561	1
Brugia malayi	heat shock protein 90	0.0044	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1792	0.1792
Trypanosoma brucei	prolyl endopeptidase	0.0017	0.0068	0.026
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0419	0.0596
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0041	0.1211	1
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Echinococcus multilocularis	heat shock protein 90	0.0038	0.1042	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0068	0.0068
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0029	0.0652	0.4608
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0038	0.1042	0.1157
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0209	0.9001	1
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0017	0.0068	0.026
Trypanosoma cruzi	prolyl endopeptidase	0.0017	0.0068	0.026
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0017	0.0068	0.026
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1515	0.1515
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0001	0.0001
Echinococcus granulosus	geminin	0.0162	0.6833	0.7592
Plasmodium vivax	endoplasmin, putative	0.0044	0.1336	0.1902
Echinococcus multilocularis	heat shock protein 90	0.0044	0.1336	0.1484
Plasmodium falciparum	endoplasmin, putative	0.0032	0.0777	0.1106
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0001	0.0001
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0017	0.0068	0.026
Leishmania major	heat shock protein 83-1	0.0044	0.1336	0.5215
Trypanosoma brucei	heat shock protein, putative	0.0044	0.1336	0.5215

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11.48 nM	BindingDB_Patents: Inhibition Assay. Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding substrate, successfully detecting fluorescence value at 460 nm for 5 minutes. At the same time, set the blank control group without substrate and solvent control group with DMSO replacing test compound, as well as positive control group of Vildagliptin (LAF-237) and Sitagliptin (MK-0431) [Bioorg. Med. Chem. Lett., 2005, 15, 4770-4773]. All final reaction volumes were 100 µL. Each concentration of each sample consisted of parallel wells in triplate.	ChEMBL.	No reference

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: CHEMBL3665966

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1979736