TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.459 | Formula: C20H27N5O5
H donors: 5 H acceptors: 7 LogP: 0.32 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC1(O)CCCCCCC1)nc2N
InChi: 1S/C20H27N5O5/c21-17-14-18(25(11-22-14)19-16(28)15(27)12(10-26)30-19)24-13(23-17)6-9-20(29)7-4-2-1-3-5-8-20/h11-12,15-16,19,26-29H,1-5,7-8,10H2,(H2,21,23,24)/t12-,15-,16-,19-/m1/s1
InChiKey: OUCLCSGSTIHYBH-BGIGGGFGSA-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
Rattus norvegicus	Adenosine A1 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adenosine A2 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
Onchocerca volvulus		Adenosine A1 receptor	326 aa	304 aa	21.1 %
Loa Loa (eye worm)	hypothetical protein	Adenosine A1 receptor	326 aa	300 aa	24.3 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Adenosine A1 receptor	326 aa	327 aa	24.8 %
Schistosoma mansoni	dro/myosuppressin receptor	Adenosine A1 receptor	326 aa	326 aa	22.1 %
Schistosoma japonicum	Alpha-1A adrenergic receptor, putative	Adenosine A1 receptor	326 aa	295 aa	28.1 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Adenosine A2 receptor	410 aa	366 aa	25.4 %
Echinococcus multilocularis	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	311 aa	21.2 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	315 aa	21.6 %
Echinococcus granulosus	neuropeptide receptor	Adenosine A1 receptor	326 aa	299 aa	22.4 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	323 aa	20.7 %
Onchocerca volvulus		Adenosine A1 receptor	326 aa	306 aa	21.2 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	23.1 %
Echinococcus granulosus	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Echinococcus multilocularis	allatostatin A receptor	Adenosine A1 receptor	326 aa	303 aa	24.1 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Adenosine A1 receptor	326 aa	286 aa	22.7 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Adenosine A2 receptor	410 aa	399 aa	28.1 %
Schistosoma mansoni	neuropeptide receptor	Adenosine A1 receptor	326 aa	274 aa	22.6 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	356 aa	23.9 %
Schistosoma japonicum	5-hydroxytryptamine receptor 4, putative	Adenosine A1 receptor	326 aa	286 aa	26.9 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Adenosine A2 receptor	410 aa	340 aa	27.9 %
Onchocerca volvulus		Adenosine A2 receptor	410 aa	337 aa	23.1 %
Loa Loa (eye worm)	neuropeptide F receptor	Adenosine A1 receptor	326 aa	316 aa	19.9 %
Brugia malayi	hypothetical protein	Adenosine A1 receptor	326 aa	305 aa	21.0 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Adenosine A1 receptor	326 aa	317 aa	24.6 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Adenosine A2 receptor	410 aa	346 aa	28.3 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Adenosine A1 receptor	326 aa	321 aa	22.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0534	0.178	0.178
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.0176	0.0176
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1688	0.5866	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0077	0.0077
Echinococcus multilocularis	tumor protein p63	0.0341	0.1097	0.1097
Brugia malayi	N-terminal motif family protein	0.0382	0.1243	0.2118
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0011	0.0018
Echinococcus multilocularis	Smad4	0.0077	0.0162	0.0162
Onchocerca volvulus		0.0036	0.0017	0.014
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0034	0.0011	0.0011
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0011	0.0018
Schistosoma mansoni	hypothetical protein	0.1484	0.5143	0.5143
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0176	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0017	0.0017
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.0176	0.0176
Schistosoma mansoni	smad	0.0034	0.0011	0.0011
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0177	0.0515	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0017	0.003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.0711	1
Loa Loa (eye worm)	Smad1	0.0077	0.0162	0.0276
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0176	1
Brugia malayi	MH2 domain containing protein	0.0077	0.0162	0.0276
Schistosoma mansoni	hypothetical protein	0.0058	0.0095	0.0095
Schistosoma mansoni	Smad4	0.0077	0.0162	0.0162
Echinococcus multilocularis	GPCR, family 2	0.0534	0.178	0.178
Schistosoma mansoni	smad1 5 8 and	0.0077	0.0162	0.0162
Loa Loa (eye worm)	transcription factor SMAD2	0.1132	0.3899	0.6646
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.2855	1	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0177	0.0515	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0176	0.03
Toxoplasma gondii	isocitrate dehydrogenase	0.0177	0.0515	0.0858
Loa Loa (eye worm)	TAR-binding protein	0.0598	0.2008	0.3423
Brugia malayi	Isocitrate dehydrogenase	0.0177	0.0515	0.0877
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0034	0.0011	0.0011
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0077	0.0162	0.0162
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0177	0.0515	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0177	0.0515	0.0515
Toxoplasma gondii	isocitrate dehydrogenase	0.0177	0.0515	0.0858
Brugia malayi	MH2 domain containing protein	0.0077	0.0162	0.0276
Treponema pallidum	5'-nucleotidase (ushA)	0.1726	0.6002	1
Loa Loa (eye worm)	hypothetical protein	0.0534	0.178	0.3034
Schistosoma mansoni	tar DNA-binding protein	0.0598	0.2008	0.2008
Loa Loa (eye worm)	STAT protein	0.0166	0.0477	0.0814
Brugia malayi	MH2 domain containing protein	0.0034	0.0011	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0059	0.0059
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Loa Loa (eye worm)	hypothetical protein	0.1688	0.5866	1
Brugia malayi	MH1 domain containing protein	0.0077	0.0162	0.0276
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0534	0.178	0.178
Schistosoma mansoni	smad1 5 8 and	0.0077	0.0162	0.0162
Plasmodium vivax	ataxin-2 like protein, putative	0.013	0.0349	0.6788
Brugia malayi	Latrophilin receptor protein 2	0.0534	0.178	0.3034
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0177	0.0515	0.0515
Schistosoma mansoni	alkaline phosphatase	0.2855	1	1
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0166	0.0477	0.0814
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.1726	0.6002	0.6002
Loa Loa (eye worm)	RNA binding protein	0.0598	0.2008	0.3423
Schistosoma mansoni	hypothetical protein	0.0534	0.178	0.178
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0059	0.0059
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0382	0.1243	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0177	0.0515	0.0515
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0176	0.5
Brugia malayi	Pre-SET motif family protein	0.0219	0.0665	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Brugia malayi	MH1 domain containing protein	0.0077	0.0162	0.0276
Leishmania major	hypothetical protein, conserved	0.013	0.0349	0.6675
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0059	0.0059
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0077	0.0162	0.0162
Trypanosoma brucei	PAB1-binding protein , putative	0.013	0.0349	0.6675
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0177	0.0515	0.7168
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Brugia malayi	MH1 domain containing protein	0.0043	0.004	0.0068
Echinococcus granulosus	tar DNA binding protein	0.0598	0.2008	0.2008
Brugia malayi	Probable ClpP-like protease	0.0081	0.0176	0.03
Brugia malayi	hypothetical protein	0.0084	0.0186	0.0317
Schistosoma mansoni	smad	0.0077	0.0162	0.0162
Onchocerca volvulus		0.0036	0.0017	0.014
Toxoplasma gondii	LsmAD domain-containing protein	0.013	0.0349	0.0582
Echinococcus granulosus	alkaline phosphatase	0.2855	1	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0177	0.0515	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0017	0.003
Echinococcus granulosus	Smad4	0.0077	0.0162	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0598	0.2008	0.2008
Brugia malayi	hypothetical protein	0.013	0.0349	0.0596
Brugia malayi	beta-lactamase	0.0036	0.0017	0.003
Brugia malayi	beta-lactamase family protein	0.0036	0.0017	0.003
Loa Loa (eye worm)	hypothetical protein	0.005	0.0066	0.0112
Onchocerca volvulus		0.0249	0.0772	0.6212
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.1721	0.5984	0.5984
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.2855	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0598	0.2008	0.2008
Schistosoma mansoni	tar DNA-binding protein	0.0598	0.2008	0.2008
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0534	0.178	0.3034
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0177	0.0515	0.0515
Brugia malayi	MH2 domain containing protein	0.1132	0.3899	0.6646
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0176	0.0293
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0176	0.5
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0711	0.2405	0.4007
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.0176	0.3416
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0017	0.003
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.0077	0.0857
Brugia malayi	Smad1	0.0077	0.0162	0.0276
Trichomonas vaginalis	set domain proteins, putative	0.0249	0.0772	1
Schistosoma mansoni	hypothetical protein	0.1154	0.3975	0.3975
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.0176	0.0176
Brugia malayi	RNA binding protein	0.0598	0.2008	0.3423
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0077	0.0077
Brugia malayi	TAR-binding protein	0.0598	0.2008	0.3423
Echinococcus granulosus	mothers against decapentaplegic 2	0.0034	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0534	0.178	0.178
Loa Loa (eye worm)	nuclear factor I	0.0043	0.004	0.0068
Schistosoma mansoni	alkaline phosphatase	0.2855	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.013	0.0349	0.5122
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0534	0.178	0.178
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.2855	1	1
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.2855	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0534	0.178	0.178
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.2855	1	1
Onchocerca volvulus		0.0036	0.0017	0.014
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0077	0.0162	0.0162
Brugia malayi	isocitrate dehydrogenase	0.0177	0.0515	0.0877
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0058	0.0095	0.0095
Echinococcus granulosus	smad	0.0077	0.0162	0.0162
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.1726	0.6002	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0077	0.0162	0.0162
Schistosoma mansoni	Smad4	0.0034	0.0011	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0059	0.0059
Echinococcus granulosus	tumor protein p63	0.0341	0.1097	0.1097
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.0077	0.0857
Loa Loa (eye worm)	MH2 domain-containing protein	0.0077	0.0162	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0043	0.004	0.0068
Schistosoma mansoni	tar DNA-binding protein	0.0598	0.2008	0.2008
Loa Loa (eye worm)	MH1 domain-containing protein	0.0077	0.0162	0.0276
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.0176	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.1132	0.3899	0.6646
Echinococcus granulosus	mothers against decapentaplegic 5	0.0077	0.0162	0.0162
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0177	0.0515	0.0515
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0017	0.003
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.0176	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0017	0.0339
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0534	0.178	0.3034
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0066	0.0066
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0598	0.2008	0.3423
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0534	0.178	0.178
Loa Loa (eye worm)	hypothetical protein	0.013	0.0349	0.0596
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0382	0.1243	0.2118
Trypanosoma cruzi	PAB1-binding protein , putative	0.013	0.0349	0.6675
Echinococcus multilocularis	alkaline phosphatase	0.2855	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1688	0.5866	1
Brugia malayi	RNA recognition motif domain containing protein	0.0598	0.2008	0.3423
Loa Loa (eye worm)	hypothetical protein	0.1154	0.3975	0.6776
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0059	0.0059
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.0176	0.0293
Plasmodium falciparum	ataxin-2 like protein, putative	0.013	0.0349	0.5122
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0058	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0177	0.0515	1
Schistosoma mansoni	smad1 5 8 and	0.0077	0.0162	0.0162
Brugia malayi	mothers against decapentaplegic homolog 3	0.0034	0.0011	0.0018
Schistosoma mansoni	Smad4	0.0034	0.0011	0.0011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0059	0.0101
Schistosoma mansoni	hypothetical protein	0.0534	0.178	0.178
Echinococcus granulosus	mothers against decapentaplegic 6	0.0034	0.0011	0.0011
Echinococcus multilocularis	smad	0.0077	0.0162	0.0162
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0034	0.0011	0.0087
Brugia malayi	MH1 domain containing protein	0.0043	0.004	0.0068
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1688	0.5866	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0017	0.003
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0177	0.0515	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.0017	0.0029
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0177	0.0515	0.0877
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0059	0.0101
Trypanosoma cruzi	PAB1-binding protein , putative	0.013	0.0349	0.6675
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.0077	0.3754
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0059	0.0059
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0017	0.0017
Brugia malayi	latrophilin 2 splice variant baaae	0.1154	0.3975	0.6776
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.0665	0.1133
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0011	0.0018
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0177	0.0515	0.0515
Onchocerca volvulus		0.005	0.0066	0.0527
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0177	0.0515	1
Echinococcus multilocularis	tar DNA binding protein	0.0598	0.2008	0.2008
Echinococcus granulosus	GPCR family 2	0.0534	0.178	0.178
Giardia lamblia	Hypothetical protein	0.0706	0.2388	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0177	0.0515	0.0515

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.9 nM	Inhibition of [3H]-NECA binding to adenosine A2 receptor from rat striatal membranes	ChEMBL.	1613750
Ki (binding)	= 56 nM	Inhibition of [3H]-CHA binding to adenosine A1 receptor from rat brain membranes	ChEMBL.	1613750

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: CHEMBL2113498

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 934378