TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.393 | Formula: C24H14F5N5
H donors: 1 H acceptors: 3 LogP: 3.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1c1cncnc1)[C@]1(N=C(c2c1cccc2F)N)c1ccnc(c1)C(F)(F)F
InChi: 1S/C24H14F5N5/c25-18-5-4-14(8-16(18)13-10-31-12-32-11-13)23(15-6-7-33-20(9-15)24(27,28)29)17-2-1-3-19(26)21(17)22(30)34-23/h1-12H,(H2,30,34)/t23-/m0/s1
InChiKey: UDQUVXUVXUGJFO-QHCPKHFHSA-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	beta-site APP-cleaving enzyme 1	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Mus musculus	beta-site APP cleaving enzyme 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	memapsin-2 (A01 family)	Get druggable targets OG5_135830	All targets in OG5_135830
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative	Get druggable targets OG5_135830	All targets in OG5_135830
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin VII	beta-site APP-cleaving enzyme 1	401 aa	352 aa	21.3 %
Plasmodium vivax	aspartyl protease, putative	beta-site APP cleaving enzyme 1	467 aa	387 aa	23.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0101	0.0488	0.0737
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	hypothetical protein	0.0429	0.2867	0.4419
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0101	0.0488	0.0752
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0429	0.2867	0.4506
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0039	0.0027
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0112	0.0154
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	hypothetical protein	0.0101	0.0488	0.0737
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0035	0.0012	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase beta 1 subunit, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0928	0.6474	0.6469
Schistosoma mansoni	hypothetical protein	0.0429	0.2867	0.4419
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	STE/STE20/PAKA protein kinase	0.0141	0.0782	0.0771
Echinococcus multilocularis	adenylate cyclase 9	0.0602	0.4119	0.6481
Entamoeba histolytica	protein kinase, putative	0.0242	0.1511	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.1496	0.1486
Plasmodium vivax	plasmepsin IV, putative	0.0035	0.0012	0.5
Schistosoma mansoni	protein kinase	0.0103	0.0503	0.076
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0467	0.0456
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	tyrosine kinase	0.0101	0.0488	0.0737
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0242	0.1511	0.2365
Schistosoma mansoni	protein kinase	0.0242	0.1511	0.2319
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0242	0.1511	0.2365
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0061	0.0326
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin I	0.0035	0.0012	0.5
Schistosoma mansoni	adenylate cyclase	0.0098	0.0467	0.0704
Schistosoma mansoni	hypothetical protein	0.0101	0.0488	0.0737
Brugia malayi	Latrophilin receptor protein 2	0.0429	0.2867	0.2984
Brugia malayi	Adenylyl cyclase protein	0.0602	0.4119	0.4291
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0082	0.0111
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0101	0.0488	0.0752
Entamoeba histolytica	protein kinase, putative	0.0103	0.0503	0.0141
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Brugia malayi	WH1 domain containing protein	0.0101	0.0488	0.0498
Trichomonas vaginalis	STE family protein kinase	0.0103	0.0503	0.3275
Echinococcus multilocularis	PAK box P21 Rho binding	0.0101	0.0488	0.0752
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin II	0.0035	0.0012	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Brugia malayi	serine/threonine-protein kinase PAK 7	0.0103	0.0503	0.0513
Onchocerca volvulus	Adenylate cyclase type 3 homolog	0.1334	0.9412	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Onchocerca volvulus	Adenylate cyclase type 2 homolog	0.0602	0.4119	0.4369
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	STE family protein kinase	0.0242	0.1511	1
Brugia malayi	P21-Rho-binding domain containing protein	0.0101	0.0488	0.0498
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Echinococcus multilocularis	adenylate cyclase 9	0.0098	0.0467	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0429	0.2867	0.2859
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0429	0.2867	0.4506
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1357	0.9581	1
Trichomonas vaginalis	guanylate cyclase beta 2 subunit, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	STE family protein kinase	0.0242	0.1511	1
Plasmodium falciparum	plasmepsin X	0.0035	0.0012	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0061	0.0326
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0242	0.1511	0.2365
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0035	0.0015	0.0022
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0033	0	0.5
Trichomonas vaginalis	intestinal guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0035	0.0015	0.0022
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0429	0.2867	0.2984
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0035	0.0012	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin VI	0.0035	0.0012	0.5
Brugia malayi	adenylate cyclase, type IX	0.0098	0.0467	0.0476
Schistosoma mansoni	protein kinase	0.0101	0.0488	0.0737
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Echinococcus granulosus	PAK box P21 Rho binding	0.0101	0.0488	0.0752
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.0103	0.0503	0.0491
Echinococcus granulosus	serine:threonine protein kinase PAK 1	0.0139	0.0767	0.1192
Onchocerca volvulus		0.0571	0.3893	0.4128
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0429	0.2867	0.4506
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Plasmodium vivax	aspartyl protease, putative	0.0035	0.0012	0.5
Brugia malayi	Protein kinase domain	0.0242	0.1511	0.1566
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0035	0.0015	0.0022
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0082	0.0073
Giardia lamblia	Kinase, STE STE20	0.0242	0.1511	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium vivax	aspartyl protease, putative	0.0035	0.0012	0.5
Trichomonas vaginalis	adenylate cyclase type, putative	0.0035	0.0015	0.0022
Brugia malayi	p21/Cdc42/Rac1-activated kinase	0.0141	0.0782	0.0804
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1357	0.9581	1
Echinococcus granulosus	adenylate cyclase type IX	0.091	0.6349	1
Echinococcus granulosus	adenylate cyclase 9	0.0602	0.4119	0.6481
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Echinococcus multilocularis	adenylate cyclase 9	0.0098	0.0467	0.0718
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0015	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.024	0.1496	0.9904
Loa Loa (eye worm)	hypothetical protein	0.1302	0.9186	0.9185
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.1357	0.9581	0.9581
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0082	0.0111
Trichomonas vaginalis	STE family protein kinase	0.0242	0.1511	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylyl cyclase type V, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1357	0.9581	0.9581
Trypanosoma cruzi	p21-activated kinase 3, putative	0.0141	0.0782	1
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	hypothetical protein	0.0429	0.2867	0.4419
Schistosoma mansoni	adenylate cyclase	0.0098	0.0467	0.0704
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Entamoeba histolytica	protein kinase, putative	0.0103	0.0503	0.0141
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin III	0.0035	0.0012	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin VIII, putative	0.0035	0.0012	0.5
Plasmodium vivax	aspartyl proteinase, putative	0.0035	0.0012	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0141	0.0782	0.1191
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Toxoplasma gondii	aspartyl protease	0.0035	0.0012	0.5
Loa Loa (eye worm)	STE/STE20/PAKA protein kinase	0.0141	0.0782	0.0771
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylate cyclase type vIII, putative	0.0035	0.0015	0.0022
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0141	0.0782	1
Plasmodium falciparum	plasmepsin IX	0.0035	0.0012	0.5
Toxoplasma gondii	aspartyl protease ASP1	0.0035	0.0012	0.5
Entamoeba histolytica	p21-activated kinase	0.0242	0.1511	1
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0429	0.2867	0.2859
Echinococcus multilocularis	GPCR, family 2	0.0429	0.2867	0.4506
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Brugia malayi	P21-Rho-binding domain containing protein	0.0101	0.0488	0.0498
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0242	0.1511	0.2365
Schistosoma mansoni	hypothetical protein	0.0101	0.0488	0.0737
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0602	0.4119	0.4111
Echinococcus granulosus	GPCR family 2	0.0429	0.2867	0.4506
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0101	0.0488	0.0752
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0242	0.1511	0.2365
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative	0.0141	0.0782	0.5137
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0112	0.0154
Echinococcus multilocularis	adenylate cyclase type IX	0.091	0.6349	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylate cyclase type, putative	0.0035	0.0015	0.0022
Plasmodium vivax	aspartyl protease, putative	0.0035	0.0012	0.5
Trichomonas vaginalis	STE family protein kinase	0.0242	0.1511	1
Entamoeba histolytica	protein kinase, putative	0.0103	0.0503	0.0141
Schistosoma mansoni	serine/threonine protein kinase	0.0141	0.0782	0.1191
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	memapsin-2 (A01 family)	0.0868	0.6044	0.9335
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylate cyclase type VI, putative	0.0035	0.0015	0.0022
Schistosoma mansoni	protein kinase	0.0242	0.1511	0.2319
Echinococcus multilocularis	PAK box P21 Rho binding	0.0103	0.0503	0.0775
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0082	0.007
Schistosoma mansoni	hypothetical protein	0.0429	0.2867	0.4419
Schistosoma mansoni	hypothetical protein	0.0928	0.6474	1
Plasmodium vivax	plasmepsin V, putative	0.0035	0.0012	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0242	0.1511	0.2365
Plasmodium vivax	aspartyl proteinase, putative	0.0035	0.0012	0.5
Onchocerca volvulus		0.0602	0.4119	0.4369
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0429	0.2867	0.4506
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0488	0.0737
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin IV	0.0035	0.0012	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Toxoplasma gondii	aspartyl protease ASP3	0.0035	0.0012	0.5
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	guanylate cyclase, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0101	0.0488	0.0477
Trichomonas vaginalis	adenylate cyclase, putative	0.0035	0.0015	0.0022
Echinococcus granulosus	adenylate cyclase 9	0.0098	0.0467	0.0718
Trichomonas vaginalis	adenylate cyclase type, putative	0.0035	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0467	0.0456
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0035	0.0015	0.0022
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0035	0.0015	0.0022
Plasmodium falciparum	plasmepsin V	0.0035	0.0012	0.5
Plasmodium falciparum	plasmepsin VII	0.0035	0.0012	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0928	0.6474	0.6752

Activities

Activity type	Activity value	Assay description	Source	Reference
Drug uptake(free) (ADMET)	= 406 nM	Free drug concentration in C57BL/6 mouse brain at 300 umol/kg, po at 1.5 hrs	ChEMBL.	22924815
IC50 (binding)	= 22.1 nM	Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassay	ChEMBL.	22924815
IC50 (binding)	= 125 nM	Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay	ChEMBL.	22924815
IC50 (binding)	= 204 nM	Inhibition of BACE1-mediated amyloid beta 40 release in C57/BL6 mouse primary cortical neurons after overnight incubation by ELISA	ChEMBL.	22924815
IC50 (binding)	= 7.9 uM	Inhibition of human ERG expressed in CHO cells by IonWorks assay	ChEMBL.	22924815
Ki (binding)		Inhibition of human recombinant BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay	ChEMBL.	22924815
Papp (ADMET)	= 30 ucm/s	Apparent permeability from apical to basal side of human Caco2 cells at 10 uM after 60 mins by LC/MS analysis	ChEMBL.	22924815

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: CHEMBL2177909

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 1721345