TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.66 | Formula: C17H12BrClN4O
H donors: 2 H acceptors: 2 LogP: 4.82 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)CNc1c(O2)ncnc1Nc1cccc(c1)Br
InChi: 1S/C17H12BrClN4O/c18-11-2-1-3-13(7-11)23-16-15-17(22-9-21-16)24-14-5-4-12(19)6-10(14)8-20-15/h1-7,9,20H,8H2,(H,21,22,23)
InChiKey: MRWAZVPCMKBBCK-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
Homo sapiens	epidermal growth factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597

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
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0036	0.0011
Onchocerca volvulus		0.0042	0.0036	0.002
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0036	0.0012
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0026	0.0026
Treponema pallidum	adenosine deaminase	0.5277	1	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0097	0.0141	0.0141
Echinococcus granulosus	high affinity choline transporter 1	0.0331	0.0588	0.0588
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0035	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0047	0.0044
Schistosoma mansoni	tyrosine kinase	0.0097	0.0141	0.0141
Schistosoma mansoni	tyrosine kinase	0.0096	0.0139	0.0139
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0041	0.0039
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.03	0.0297
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0082	0.0113	0.0088
Plasmodium falciparum	AMP deaminase, putative	0.3304	0.6245	0.6235
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0036	0.0012
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0036	0.0036
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0035	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.3127	0.5908	0.5907
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.03	0.03
Echinococcus granulosus	lamin	0.0031	0.0016	0.0016
Leishmania major	adenine aminohydrolase	0.5277	1	1
Mycobacterium ulcerans	adenosine deaminase	0.5277	1	1
Echinococcus multilocularis	lamin	0.0031	0.0016	0.0016
Brugia malayi	Thioredoxin reductase	0.0036	0.0026	0.0014
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.03	0.03
Schistosoma mansoni	inositol transporter	0.0037	0.0026	0.0026
Schistosoma mansoni	adenosine deaminase	0.5277	1	1
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0016	0.0016
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0037	0.0026	0.0026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.004	0.004
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0091	0.0131	0.0106
Leishmania major	hypothetical protein, conserved	0.215	0.4049	0.4035
Plasmodium falciparum	adenosine deaminase	0.5277	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.004	0.004
Brugia malayi	Bromodomain containing protein	0.0044	0.0041	0.003
Loa Loa (eye worm)	hypothetical protein	0.3127	0.5908	0.5907
Schistosoma mansoni	sodium/solute symporter	0.0037	0.0026	0.0026
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0036	0.0011
Echinococcus granulosus	epidermal growth factor receptor	0.0097	0.0141	0.0141
Echinococcus multilocularis	solute carrier family 5	0.0037	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Schistosoma mansoni	high-affinity choline transporter	0.0331	0.0588	0.0588
Entamoeba histolytica	AMP deaminase, putative	0.3304	0.6245	0.6236
Echinococcus granulosus	solute carrier family 5	0.0037	0.0026	0.0026
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0036	0.0012
Trypanosoma cruzi	AMP deaminase, putative	0.3304	0.6245	1
Schistosoma mansoni	bromodomain containing protein	0.0073	0.0096	0.0096
Echinococcus granulosus	lamin dm0	0.0031	0.0016	0.0016
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0069	0.0088	0.0088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.004	0.004
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.5277	1	1
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0037	0.0026	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0036	0.002
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0042	0.0036	0.0036
Echinococcus multilocularis	microtubule associated protein 2	0.0658	0.1209	0.1209
Trichomonas vaginalis	adenosine deaminase, putative	0.5277	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.004	0.0028
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0035	0.0024	0.0012
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0082	0.0113	0.0078
Mycobacterium tuberculosis	Probable dehydrogenase	0.0082	0.0113	0.0088
Trypanosoma brucei	AMP deaminase, putative	0.3304	0.6245	1
Echinococcus granulosus	adenosine deaminase	0.5277	1	1
Echinococcus multilocularis	adenosine deaminase	0.5277	1	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0035	0.0024	0.0024
Brugia malayi	beta-lactamase	0.0042	0.0036	0.0024
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0091	0.0131	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0331	0.0588	0.0585
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0036	0.0011
Schistosoma mansoni	lamin	0.0031	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0035	0.0024	0.0024
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0036	0.0011
Brugia malayi	GH02984p	0.0331	0.0588	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0051	0.0049
Schistosoma mansoni	AMP deaminase	0.3304	0.6245	0.6245
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0036	0.0011
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0007	0.0007
Echinococcus granulosus	microtubule associated protein 2	0.0658	0.1209	0.1209
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0026	0.0026
Echinococcus granulosus	intermediate filament protein	0.0031	0.0016	0.0016
Echinococcus multilocularis	lamin dm0	0.0031	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0015	0.0013
Loa Loa (eye worm)	thioredoxin reductase	0.0036	0.0026	0.0023
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.3304	0.6245	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0042	0.0036	0.0036
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0016	0.0005
Echinococcus multilocularis		0.0056	0.0063	0.0063
Entamoeba histolytica	adenosine deaminase, putative	0.5277	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0016	0.0014
Plasmodium vivax	adenosine/AMP deaminase, putative	0.3304	0.6245	0.6235
Toxoplasma gondii	AMP deaminase	0.3304	0.6245	0.6235
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0082	0.0113	0.0088
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0035	0.0024	0.0024
Loa Loa (eye worm)	TK/INSR protein kinase	0.0058	0.0066	0.0064
Echinococcus multilocularis	high affinity choline transporter 1	0.0331	0.0588	0.0588
Schistosoma mansoni	adenosine deaminase-related	0.5277	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0091	0.0131	0.0106
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0036	0.0011
Schistosoma mansoni	inositol transporter	0.0037	0.0026	0.0026
Trypanosoma cruzi	AMP deaminase, putative	0.3304	0.6245	1
Loa Loa (eye worm)	AMP deaminase	0.3304	0.6245	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Echinococcus multilocularis	musashi	0.0031	0.0016	0.0016
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0058	0.0066	0.0066
Brugia malayi	intermediate filament protein	0.0031	0.0016	0.0005
Trichomonas vaginalis	esterase, putative	0.0042	0.0036	0.0012
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0037	0.0026	0.0026
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0069	0.0088	0.0088
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0036	0.0011
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0036	0.0012
Schistosoma mansoni	tyrosine kinase	0.0097	0.0141	0.0141
Schistosoma mansoni	hypothetical protein	0.0162	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.5277	1	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0035	0.0024	0.5
Leishmania major	hypothetical protein, conserved	0.0042	0.0036	0.0012
Onchocerca volvulus		0.0042	0.0036	0.002
Trichomonas vaginalis	adenosine deaminase, putative	0.5277	1	1
Trypanosoma brucei	trypanothione reductase	0.0036	0.0026	0.0002
Brugia malayi	glutathione reductase	0.0036	0.0026	0.0014
Loa Loa (eye worm)	glutathione reductase	0.0036	0.0026	0.0023
Echinococcus multilocularis	geminin	0.0162	0.0264	0.0264
Trypanosoma brucei	AMP deaminase, putative	0.3304	0.6245	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Trypanosoma cruzi	AMP deaminase, putative	0.3304	0.6245	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0026	0.0024
Onchocerca volvulus	AMP deaminase 2 homolog	0.3304	0.6245	0.6239
Echinococcus granulosus	geminin	0.0162	0.0264	0.0264
Echinococcus granulosus	ubiquitin specific protease 41	0.0035	0.0024	0.0024
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0036	0.0011
Plasmodium vivax	adenosine deaminase, putative	0.5277	1	1
Entamoeba histolytica	AMP deaminase, putative	0.3304	0.6245	0.6236
Brugia malayi	Sodium:solute symporter family protein	0.0037	0.0026	0.0015
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0036	0.0024
Echinococcus multilocularis	insulin receptor	0.0058	0.0066	0.0066
Schistosoma mansoni	microtubule-associated protein tau	0.0658	0.1209	0.1209
Brugia malayi	follicle stimulating hormone receptor	0.0221	0.0377	0.0366
Onchocerca volvulus		0.0042	0.0036	0.002
Loa Loa (eye worm)	hypothetical protein	0.3127	0.5908	0.5907
Leishmania major	adenosine monophosphate deaminase, putative,AMP deaminase, putative	0.3304	0.6245	0.6236
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0036	0.0011
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.03	0.0288
Echinococcus multilocularis	ubiquitin specific protease 41	0.0035	0.0024	0.0024
Toxoplasma gondii	ABC1 family protein	0.0042	0.0036	0.0011
Loa Loa (eye worm)	hypothetical protein	0.3127	0.5908	0.5907
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Leishmania major	AMP deaminase, putative,adenosine monophosphate deaminase-like protein	0.3304	0.6245	0.6236
Mycobacterium tuberculosis	Probable oxidoreductase	0.0091	0.0131	0.0106
Schistosoma mansoni	tyrosine kinase	0.0096	0.0139	0.0139
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0036	0.0036
Schistosoma mansoni	tyrosine kinase	0.018	0.03	0.03
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0036	0.0034
Echinococcus multilocularis	AMP deaminase 2	0.3304	0.6245	0.6245
Schistosoma mansoni	tyrosine kinase	0.0058	0.0066	0.0066
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0082	0.0113	0.0088
Trypanosoma cruzi	trypanothione reductase, putative	0.0036	0.0026	0.0002
Trypanosoma cruzi	AMP deaminase, putative	0.3304	0.6245	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0058	0.0066	0.0066
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0266	0.0464	0.0439
Echinococcus granulosus	insulin receptor	0.0058	0.0066	0.0066
Trypanosoma cruzi	AMP deaminase 2, putative	0.215	0.4049	0.647
Echinococcus granulosus	sodium:glucose cotransporter	0.0037	0.0026	0.0026
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0036	0.0011
Onchocerca volvulus		0.215	0.4049	0.4039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.004	0.004
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0035	0.0024	0.0024
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0036	0.0034
Schistosoma mansoni	hypothetical protein	0.0024	0.0002	0.0002
Onchocerca volvulus	Adenosine deaminase homolog	0.5277	1	1
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.5277	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0016	0.0014
Brugia malayi	Bromodomain containing protein	0.0087	0.0122	0.011
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0036	0.002
Leishmania major	AMP deaminase, putative,amp deaminase-like protein	0.3304	0.6245	0.6236
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.004	0.004
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0082	0.0113	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0036	0.0012
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.004	0.0038
Brugia malayi	beta-lactamase family protein	0.0042	0.0036	0.0024
Leishmania major	AMP deaminase, putative	0.3304	0.6245	0.6236
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0037	0.0026	0.0026
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.3304	0.6245	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0036	0.002
Leishmania major	trypanothione reductase	0.0036	0.0026	0.0002
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0007	0.0007
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0007	0.0007
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0016	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0113	0.011
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.5277	1	1
Brugia malayi	Protein kinase domain containing protein	0.0058	0.0066	0.0055
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0097	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.1154	0.2153	0.2151
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0037	0.0026	0.0026
Brugia malayi	beta-lactamase family protein	0.0042	0.0036	0.0024
Onchocerca volvulus		0.0037	0.0026	0.001
Schistosoma mansoni	tyrosine kinase	0.0096	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0024	0.0022
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0036	0.0011
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0037	0.0026	0.0026
Echinococcus granulosus	AMP deaminase 2	0.3304	0.6245	0.6245
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.004	0.004
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.5277	1	1
Brugia malayi	adenosine monophosphate deaminase	0.3304	0.6245	0.624
Schistosoma mansoni	lamin	0.0031	0.0016	0.0016
Schistosoma mansoni	hypothetical protein	0.0162	0.0264	0.0264
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0036	0.0036
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0037	0.0026	0.0026
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.3304	0.6245	1
Trypanosoma brucei	AMP deaminase, putative	0.3304	0.6245	1
Mycobacterium tuberculosis	Probable reductase	0.0082	0.0113	0.0088
Entamoeba histolytica	adenosine deaminase, putative	0.5277	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0036	0.0034
Loa Loa (eye worm)	hypothetical protein	0.215	0.4049	0.4047
Trypanosoma cruzi	AMP deaminase, putative	0.3304	0.6245	1
Schistosoma mansoni	tyrosine kinase	0.0058	0.0066	0.0066
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0221	0.0377	0.0375

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.4 uM	Inhibition of EGFR	ChEMBL.	16412636
IC50 (binding)	= 3.4 uM	Inhibition of EGFR	ChEMBL.	16412636
IC50 (binding)	> 30 uM	Inhibition of EGFR autophosphorylation in DiFi cells	ChEMBL.	16412636
IC50 (binding)	> 30 uM	Inhibition of EGFR autophosphorylation in DiFi cells	ChEMBL.	16412636

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: CHEMBL378145

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 354457