TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 575.356 | Formula: C23H22IN5O5
H donors: 3 H acceptors: 5 LogP: 3.2 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: CCCn1c2nc([nH]c2c(=O)n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O
InChi: 1S/C23H22IN5O5/c1-2-9-28-21-19(22(32)29(23(28)33)11-13-3-8-17(25)16(24)10-13)26-20(27-21)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
InChiKey: MMUQMGJPHOIRRP-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	adenosine A2a receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A2b receptor		References
Bos taurus	Adenosine A1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	opsin-like receptor	Adenosine A1 receptor	326 aa	312 aa	22.1 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	311 aa	21.9 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	307 aa	21.2 %
Schistosoma mansoni	opsin-like receptor	Adenosine A1 receptor	326 aa	315 aa	23.8 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	296 aa	22.6 %
Brugia malayi	follicle stimulating hormone receptor	adenosine A2a receptor	412 aa	336 aa	22.3 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	304 aa	25.3 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	318 aa	22.3 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	306 aa	26.1 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	311 aa	21.9 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	331 aa	25.7 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	312 aa	24.0 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	314 aa	21.7 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	277 aa	23.8 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	301 aa	25.6 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	326 aa	20.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0226	0.0827	0.0825
Schistosoma mansoni	tyrosine kinase	0.0181	0.0634	0.3355
Onchocerca volvulus		0.0045	0.0059	0.0917
Onchocerca volvulus		0.0045	0.0059	0.0917
Entamoeba histolytica	protein kinase, putative	0.0166	0.0571	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0048	0.0073	0.0362
Brugia malayi	Tyrosine-protein kinase abl-1	0.0251	0.0935	0.8657
Leishmania major	cathepsin L-like protease	0.0063	0.0134	0.0094
Schistosoma mansoni	growth factor receptor-bound protein	0.006	0.0124	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0038	0.003	0.0149
Brugia malayi	SRC-1	0.0226	0.0827	0.7659
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0075	0.0185	0.0978
Giardia lamblia	Kinase, CMGC CDK	0.0048	0.0073	0.5
Brugia malayi	Variant SH3 domain containing protein	0.006	0.0124	0.1126
Toxoplasma gondii	hypothetical protein	0.0253	0.0939	1
Brugia malayi	SH2 domain containing protein	0.008	0.0209	0.192
Onchocerca volvulus		0.0045	0.0059	0.0917
Loa Loa (eye worm)	TK/INSR protein kinase	0.0067	0.0152	0.0751
Echinococcus multilocularis	tyrosine protein kinase csk	0.005	0.008	0.0077
Echinococcus granulosus	tyrosine protein kinase Blk	0.0196	0.0701	0.3471
Schistosoma mansoni	tyrosine kinase	0.011	0.0335	0.1774
Onchocerca volvulus		0.0045	0.0059	0.0917
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0045	0.0059	0.0056
Loa Loa (eye worm)	TK protein kinase	0.0196	0.0701	0.3471
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.1566	0.6508	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0226	0.0827	0.4096
Echinococcus granulosus	tyrosine protein kinase csk	0.005	0.008	0.0395
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0059	0.0522
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0002	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0059	0.029
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0059	0.0522
Schistosoma mansoni	tyrosine kinase	0.0067	0.0152	0.0803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0226	0.0827	0.0825
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0059	0.0522
Echinococcus multilocularis	roundabout 2	0.0038	0.003	0.0028
Brugia malayi	cell division control protein 2 homolog	0.0048	0.0073	0.0657
Onchocerca volvulus		0.0155	0.0524	0.8511
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0226	0.0827	0.0825
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0226	0.0827	0.0825
Echinococcus multilocularis	epidermal growth factor receptor	0.0103	0.0306	0.0304
Loa Loa (eye worm)	TK/ALK protein kinase	0.0279	0.1051	0.5205
Brugia malayi	Tyrosine-protein kinase abl-1	0.0286	0.1079	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0134	0.0094
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.0073	0.0387
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0825	0.3365	0.5
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0166	0.0571	0.0569
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0134	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Echinococcus granulosus	tyrosine protein kinase Srms	0.0045	0.0059	0.029
Echinococcus granulosus	tyrosine kinase	0.0196	0.0701	0.3471
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0196	0.0701	0.0699
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Onchocerca volvulus		0.008	0.0209	0.3373
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Schistosoma mansoni	tyrosine kinase	0.0103	0.0306	0.1619
Loa Loa (eye worm)	TK/CSK protein kinase	0.005	0.008	0.0395
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Brugia malayi	protein-tyrosine kinase	0.0196	0.0701	0.6487
Echinococcus granulosus	cyclin dependent kinase 5	0.0048	0.0073	0.0362
Mycobacterium ulcerans	hypothetical protein	0.0825	0.3365	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0073	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0073	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0181	0.0634	0.314
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0048	0.0073	0.0362
Echinococcus multilocularis	growth factor receptor bound protein 2	0.006	0.0124	0.0121
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.1566	0.6508	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0741	0.301	0.4565
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0196	0.0701	0.0699
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0067	0.0152	0.0149
Echinococcus multilocularis	cyclin dependent kinase 1	0.0048	0.0073	0.0071
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0152	0.1386
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0226	0.0827	0.0825
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.022	0.0802	0.1132
Loa Loa (eye worm)	TK/ABL protein kinase	0.0507	0.2019	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.1566	0.6508	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0251	0.0935	0.0932
Echinococcus multilocularis	cyclin dependent kinase 5	0.0048	0.0073	0.0071
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0077	0.0006
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0182	0.064	0.0637
Schistosoma mansoni	tyrosine kinase	0.0067	0.0152	0.0803
Schistosoma mansoni	adapter molecule crk	0.006	0.0124	0.0654
Echinococcus multilocularis	tyrosine protein kinase csk	0.005	0.008	0.0077
Brugia malayi	Protein kinase domain containing protein	0.0048	0.0073	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0191	0.0679	0.3362
Schistosoma mansoni	tyrosine kinase	0.0045	0.0059	0.031
Schistosoma mansoni	nck2/grb4	0.006	0.0124	0.0654
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.006	0.0124	0.0654
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0059	0.0522
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0226	0.0827	0.4096
Echinococcus multilocularis	tyrosine protein kinase csk	0.005	0.008	0.0077
Echinococcus multilocularis	pol protein	0.2389	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0048	0.0073	0.0362
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.006	0.0124	0.0613
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0741	0.301	0.4565
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0045	0.0059	0.029
Echinococcus multilocularis	tyrosine protein kinase csk	0.005	0.008	0.0077
Brugia malayi	SH2 domain containing protein	0.0045	0.0059	0.0522
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0196	0.0701	0.3471
Schistosoma mansoni	tyrosine kinase	0.0075	0.0185	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0038	0.003	0.0149
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0.0073	0.0283
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0067	0.0152	0.0751
Schistosoma mansoni	growth factor receptor-bound protein	0.006	0.0124	0.0654
Loa Loa (eye worm)	hypothetical protein	0.006	0.0124	0.0613
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0226	0.0827	0.4096
Giardia lamblia	Kinase, CMGC CDK	0.0048	0.0073	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.0073	0.0387
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0226	0.0827	0.4096
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0048	0.0073	0.0362
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Plasmodium falciparum	protein kinase 5	0.0048	0.0073	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0182	0.064	0.3168
Schistosoma mansoni	tyrosine kinase	0.0045	0.0059	0.031
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.0055	0.0293
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.006	0.0124	0.0613
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.022	0.0802	0.1132
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0226	0.0827	0.4096
Schistosoma mansoni	tyrosine kinase	0.0089	0.0245	0.1296
Echinococcus multilocularis	cyclin dependent kinase 1	0.0048	0.0073	0.0071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Echinococcus granulosus	insulin receptor	0.0067	0.0152	0.0751
Echinococcus granulosus	tyrosine protein kinase csk	0.005	0.008	0.0395
Brugia malayi	Sex muscle abnormal protein 5	0.006	0.0124	0.1126
Brugia malayi	Furin-like cysteine rich region family protein	0.0181	0.0634	0.5866
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Echinococcus multilocularis	insulin receptor	0.0067	0.0152	0.0149
Schistosoma mansoni	tyrosine kinase	0.0089	0.0245	0.1296
Leishmania major	mitochondrial DNA polymerase beta	0.1566	0.6508	1
Echinococcus multilocularis		0.0052	0.0087	0.0085
Echinococcus granulosus	tyrosine kinase	0.0045	0.0059	0.029
Echinococcus multilocularis	epidermal growth factor receptor	0.0181	0.0634	0.0632
Echinococcus multilocularis	pol protein	0.2389	1	1
Loa Loa (eye worm)	SRC-1	0.0226	0.0827	0.4096
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0134	0.0094
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0741	0.301	0.4565
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0226	0.0827	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0002	0.0012
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0226	0.0827	0.4096
Echinococcus multilocularis	tyrosine kinase	0.0045	0.0059	0.0056
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0059	0.0522
Echinococcus granulosus	growth factor receptor bound protein 2	0.006	0.0124	0.0613
Onchocerca volvulus	Tyrosine kinase homolog	0.0176	0.0615	1
Echinococcus multilocularis	NCK adaptor protein	0.006	0.0124	0.0121
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0075	0.0185	0.0915
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0103	0.0306	0.1515
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.022	0.0802	0.1132
Echinococcus granulosus	tyrosine protein kinase HCK	0.0166	0.0571	0.283
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0226	0.0827	0.4096
Loa Loa (eye worm)	TK protein kinase	0.0166	0.0571	0.283
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0507	0.2019	0.2017
Echinococcus granulosus	c src tyrosine kinase	0.011	0.0335	0.1661
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Brugia malayi	hypothetical protein	0.0045	0.0059	0.0522
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0111	0.0058
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0233	0.0856	0.4237
Echinococcus multilocularis	pol protein	0.2389	1	1
Echinococcus multilocularis	cyclin dependent kinase	0.0048	0.0073	0.0071
Schistosoma mansoni	tyrosine kinase	0.0226	0.0827	0.4376
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0227	0.0829	0.4107
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0507	0.2019	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0045	0.0059	0.0056
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Brugia malayi	Protein kinase domain containing protein	0.0279	0.1051	0.9743
Echinococcus granulosus	roundabout 2	0.0038	0.003	0.0149
Leishmania major	cathepsin L-like protease	0.0063	0.0134	0.0094
Echinococcus granulosus	MAM	0.0032	0.0002	0.0012
Echinococcus multilocularis	c src tyrosine kinase	0.011	0.0335	0.0333
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.022	0.0802	0.1132
Echinococcus granulosus	NCK adaptor protein	0.006	0.0124	0.0613
Schistosoma mansoni	tyrosine kinase	0.0477	0.189	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0071	0.0351
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0196	0.0701	0.0699
Loa Loa (eye worm)	TK/FER protein kinase	0.0045	0.0059	0.029
Echinococcus granulosus	cyclin dependent kinase	0.0048	0.0073	0.0362
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0.0073	0.0283
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0134	0.0094
Echinococcus granulosus	tyrosine protein kinase csk	0.005	0.008	0.0395
Brugia malayi	Immunoglobulin I-set domain containing protein	0.02	0.0717	0.6638
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0226	0.0827	0.0825
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0181	0.0634	0.314
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.02	0.0717	0.3551
Schistosoma mansoni	hypothetical protein	0.0032	0.0002	0.0013
Leishmania major	cathepsin L-like protease	0.0063	0.0134	0.0094
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0226	0.0827	0.0825
Schistosoma mansoni	tyrosine kinase	0.0089	0.0245	0.1296
Schistosoma mansoni	tyrosine kinase	0.0103	0.0306	0.1619
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0075	0.0185	0.0182
Echinococcus granulosus	tyrosine protein kinase shark	0.0045	0.0059	0.029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0134	0.0094
Brugia malayi	Variant SH3 domain containing protein	0.006	0.0124	0.1126
Echinococcus granulosus	cyclin dependent kinase 1	0.0048	0.0073	0.0362
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0268	0.1006	0.145
Schistosoma mansoni	tyrosine kinase	0.0226	0.0827	0.4376
Onchocerca volvulus		0.0045	0.0059	0.0917
Plasmodium vivax	protein kinase Crk2	0.0048	0.0073	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0066	0.0148	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0002	0.0012
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0226	0.0827	0.0825
Echinococcus granulosus	epidermal growth factor receptor	0.0103	0.0306	0.1515
Schistosoma mansoni	hypothetical protein	0.0032	0.0002	0.0013

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 160 nM	Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes	ChEMBL.	3351850
Kd (binding)	= 160 nM	Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes	ChEMBL.	3351850
Ki (binding)	= 1.8 uM	Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets	ChEMBL.	3351850
Ki (binding)	= 1.8 uM	Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets	ChEMBL.	3351850

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: CHEMBL162814

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 279552