TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 308.416 | Formula: C17H28N2O3
H donors: 1 H acceptors: 1 LogP: 1.18 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(CN1CCCN([C@H](C1)CO)Cc1ccccc1)OC
InChi: 1S/C17H28N2O3/c1-21-17(22-2)13-18-9-6-10-19(16(12-18)14-20)11-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,6,9-14H2,1-2H3/t16-/m1/s1
InChiKey: DPWJZQJZQFPBJA-MRXNPFEDSA-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	opioid receptor, kappa 1	Starlite/ChEMBL	References
Cavia porcellus	Sigma-1 receptor	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, mu 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

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
Schistosoma mansoni	vesicular amine transporter	0.0038	0.0403	0.0408
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0051	0.0681	0.0746
Echinococcus multilocularis	roundabout 2	0.0024	0.0106	0.0079
Schistosoma mansoni	dihydrofolate reductase	0.0174	0.3223	0.3265
Echinococcus granulosus	Polycystic kidney disease protein	0.008	0.1273	0.1431
Schistosoma mansoni	cell adhesion molecule	0.0024	0.0106	0.0108
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0294	0.5734	0.6602
Echinococcus granulosus	defective proboscis extension response	0.0035	0.0337	0.0347
Schistosoma mansoni	hypothetical protein	0.008	0.1273	0.1289
Loa Loa (eye worm)	SRC-1	0.005	0.0657	0.0616
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0046	0.0579	0.0627
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.0116	0.2031	0.2311
Schistosoma mansoni	ryanodine receptor related	0.0493	0.9871	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.038	0.7507	0.8657
Echinococcus granulosus	tyrosine protein kinase Src64B	0.005	0.0657	0.0718
Schistosoma mansoni	tyrosine kinase	0.0281	0.5467	0.5538
Echinococcus multilocularis	lipoxygenase domain containing protein	0.008	0.1273	0.1431
Echinococcus multilocularis		0.0129	0.2301	0.2623
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0047	0.0591	0.0459
Brugia malayi	hypothetical protein	0.0041	0.0457	0.0427
Echinococcus granulosus	roundabout 2	0.0024	0.0106	0.0079
Brugia malayi	SRC-1	0.005	0.0657	0.063
Loa Loa (eye worm)	hypothetical protein	0.0445	0.8861	0.8856
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0178	0.3312	0.3222
Schistosoma mansoni	lipoxygenase	0.008	0.1273	0.1289
Loa Loa (eye worm)	hypothetical protein	0.008	0.1273	0.1234
Schistosoma mansoni	protein kinase	0.0117	0.2045	0.2072
Entamoeba histolytica	protein kinase, putative	0.0043	0.0499	0.1143
Loa Loa (eye worm)	plexin A	0.0021	0.0047	0.0003
Echinococcus granulosus	contactin	0.0024	0.0106	0.0079
Echinococcus granulosus	Immunoglobulin	0.0035	0.0337	0.0347
Entamoeba histolytica	protein kinase , putative	0.0117	0.2045	1
Leishmania major	hypothetical protein, conserved	0.0121	0.2127	0.1776
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0034	0.0312	0.0318
Brugia malayi	serine/threonine-protein kinase plk-2	0.0051	0.0681	0.0654
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0178	0.3312	0.3222
Schistosoma mansoni	tyrosine kinase	0.0031	0.0253	0.0257
Schistosoma mansoni	rab6-interacting	0.008	0.1273	0.1289
Echinococcus multilocularis	protein tyrosine kinase	0.027	0.5226	0.6013
Onchocerca volvulus		0.008	0.1273	0.1535
Entamoeba histolytica	protein kinase, putative	0.0117	0.2045	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0223	0.4261	0.4895
Brugia malayi	Probable DNA topoisomerase II	0.0065	0.0962	0.0939
Loa Loa (eye worm)	TK/FAK protein kinase	0.0273	0.5289	0.5268
Schistosoma mansoni	tyrosine kinase	0.002	0.0038	0.0038
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.002	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0772	0.0731
Schistosoma mansoni	ephrin receptor	0.0069	0.1039	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0209	0.0166
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.005	0.0657	0.0718
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0082	0.1315	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0337	0.0295
Echinococcus multilocularis	neuroglian	0.0043	0.0501	0.0537
Echinococcus granulosus	protein tyrosine kinase	0.027	0.5226	0.6013
Echinococcus granulosus	insulin receptor	0.0374	0.7387	0.8518
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.005	0.0657	0.0718
Leishmania major	protein kinase, putative	0.0117	0.2045	0.1676
Schistosoma mansoni	tyrosine kinase	0.0294	0.5734	0.5809
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0021	0.0044	0.0007
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0046	0.0579	0.0627
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0223	0.4261	0.4895
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0117	0.2045	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0457	0.0415
Echinococcus granulosus	lipoxygenase domain containing protein	0.008	0.1273	0.1431
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0174	0.3223	1
Giardia lamblia	Aurora kinase	0.0117	0.2045	1
Schistosoma mansoni	polycystin 1-related	0.008	0.1273	0.1289
Echinococcus granulosus	tyrosine protein kinase Blk	0.0046	0.0579	0.0627
Loa Loa (eye worm)	TK/EPH protein kinase	0.0084	0.1357	0.1319
Leishmania major	DNA topoisomerase ii	0.0058	0.0826	0.0186
Schistosoma mansoni	tyrosine kinase	0.0281	0.5467	0.5538
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.038	0.7507	0.8657
Loa Loa (eye worm)	ryanodine receptor	0.0116	0.2034	0.1999
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.005	0.0657	0.0718
Loa Loa (eye worm)	hypothetical protein	0.009	0.1484	0.1447
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0493	0.9871	1
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0024	0.0106	0.0079
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0024	0.0106	0.0069
Echinococcus multilocularis	plexin a4	0.0021	0.0047	0.001
Plasmodium vivax	DNA topoisomerase II, putative	0.0065	0.0962	0.455
Echinococcus multilocularis	RUN	0.008	0.1273	0.1431
Schistosoma mansoni	hypothetical protein	0.0122	0.2143	0.2171
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0051	0.0681	0.0746
Schistosoma mansoni	tyrosine kinase	0.027	0.5226	0.5294
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Echinococcus granulosus	neuroglian	0.0043	0.0501	0.0537
Echinococcus multilocularis	aurora kinase A	0.0117	0.2045	0.2327
Echinococcus multilocularis	epidermal growth factor receptor	0.0294	0.5734	0.6602
Trypanosoma cruzi	aurora B kinase, putative	0.0117	0.2045	0.1676
Brugia malayi	hypothetical protein	0.008	0.1273	0.1256
Schistosoma mansoni	neuroglian	0.0024	0.0106	0.0108
Echinococcus multilocularis	Immunoglobulin	0.0035	0.0337	0.0347
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0065	0.0962	0.0939
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.2045	0.201
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0117	0.2045	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0106	0.0062
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0051	0.0681	0.2186
Brugia malayi	cation channel family protein	0.0211	0.3999	0.4028
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0066	0.0993	0.4709
Echinococcus multilocularis	stromal cell derived factor 2	0.0033	0.03	0.0304
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.0713	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0547	0.0505
Schistosoma mansoni	tyrosine kinase	0.0374	0.7387	0.7483
Echinococcus multilocularis	neuroglian	0.0024	0.0106	0.0079
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0021	0.0057	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0435	0.8665	0.8659
Echinococcus multilocularis	roundabout 2	0.0024	0.0106	0.0079
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0034	0.0312	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0518	0.0476
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.8861	1
Echinococcus granulosus	plexin a4	0.0021	0.0047	0.001
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0065	0.0962	0.107
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.005	0.0657	0.0718
Echinococcus granulosus	aurora kinase A	0.0117	0.2045	0.2327
Loa Loa (eye worm)	dihydrofolate reductase	0.0174	0.3223	0.3193
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0035	0.0337	0.0342
Trypanosoma brucei	polo-like protein kinase	0.0051	0.0681	0.001
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0065	0.0962	0.455
Loa Loa (eye worm)	MIR domain-containing protein	0.0033	0.03	0.0257
Echinococcus granulosus	tyrosine protein kinase Src42A	0.005	0.0657	0.0718
Schistosoma mansoni	tyrosine kinase	0.005	0.0657	0.0666
Echinococcus granulosus	lipoxygenase domain containing protein	0.008	0.1273	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0209	0.0166
Loa Loa (eye worm)	doublecortin family protein	0.008	0.1273	0.1234
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.005	0.0657	0.0718
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0375	0.741	0.7399
Brugia malayi	hypothetical protein	0.008	0.1273	0.1256
Brugia malayi	MIR domain containing protein	0.0033	0.03	0.0266
Echinococcus granulosus	neuroglian	0.0024	0.0106	0.0079
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.006	0.0862	0.0874
Schistosoma mansoni	rab6-interacting	0.008	0.1273	0.1289
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0035	0.0337	0.0347
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0024	0.0106	0.0079
Loa Loa (eye worm)	ryanodine receptor	0.0184	0.3445	0.3416
Echinococcus multilocularis	roundabout 2	0.0059	0.0831	0.0919
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0065	0.0962	0.107
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.2045	0.201
Schistosoma mansoni	tyrosine kinase	0.0281	0.5467	0.5538
Echinococcus multilocularis	dihydrofolate reductase	0.0174	0.3223	0.3691
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0066	0.0993	0.039
Echinococcus multilocularis	lipoxygenase domain containing protein	0.008	0.1273	0.1431
Onchocerca volvulus		0.0317	0.6209	0.932
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0337	0.0295
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.005	0.0657	0.0718
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.0116	0.2031	0.2311
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0024	0.0106	0.0108
Schistosoma mansoni	tyrosine kinase	0.005	0.0657	0.0666
Echinococcus multilocularis	ryanodine receptor 44f	0.0312	0.6092	0.7017
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Plasmodium falciparum	LCCL domain-containing protein	0.008	0.1273	0.6116
Brugia malayi	Furin-like cysteine rich region family protein	0.0435	0.8665	0.8774
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0457	0.0415
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0681	0.069
Schistosoma mansoni	DNA topoisomerase II	0.0065	0.0962	0.0974
Echinococcus granulosus	RUN	0.008	0.1273	0.1431
Brugia malayi	ephrin receptor 1 precursor	0.0039	0.0426	0.0395
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0047	0.0591	0.0459
Entamoeba histolytica	protein kinase domain containing protein	0.0117	0.2045	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0051	0.0681	0.001
Entamoeba histolytica	protein kinase, putative	0.0117	0.2045	1
Chlamydia trachomatis	dihydrofolate reductase	0.0174	0.3223	1
Schistosoma mansoni	tyrosine kinase	0.0294	0.5734	0.5809
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0174	0.3223	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.2045	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0024	0.0106	0.0069
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.005	0.0657	0.0718
Brugia malayi	protein-tyrosine kinase	0.0046	0.0579	0.0551
Loa Loa (eye worm)	TK protein kinase	0.0046	0.0579	0.0538
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0058	0.0826	0.0186
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0035	0.0337	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0337	0.0295
Schistosoma mansoni	loxhd1	0.008	0.1273	0.1289
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0026	0.0162	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0457	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0711	0.067
Schistosoma mansoni	cell adhesion molecule	0.0024	0.0106	0.0108
Trypanosoma brucei	aurora B kinase	0.0117	0.2045	0.1676
Schistosoma mansoni	serine/threonine protein kinase	0.0117	0.2045	0.2072
Echinococcus granulosus	roundabout 2	0.0024	0.0106	0.0079
Echinococcus granulosus	epidermal growth factor receptor	0.0294	0.5734	0.6602
Onchocerca volvulus		0.0056	0.0772	0.0744
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0058	0.0826	0.0186
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0057	0.0797	0.0807
Onchocerca volvulus	Tyrosine kinase homolog	0.0338	0.664	1
Echinococcus multilocularis	Immunoglobulin	0.0035	0.0337	0.0347
Chlamydia trachomatis	DNA gyrase subunit B	0.0035	0.0345	0.091
Brugia malayi	Doublecortin family protein	0.008	0.1273	0.1256
Trypanosoma cruzi	polo-like protein kinase, putative	0.0051	0.0681	0.001
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0047	0.0591	0.0459
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.8861	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1565	0.1528
Echinococcus multilocularis	Polycystic kidney disease protein	0.008	0.1273	0.1431
Echinococcus multilocularis	epidermal growth factor receptor	0.0435	0.8665	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0862	0.0822
Plasmodium falciparum	DNA topoisomerase 2	0.0065	0.0962	0.455
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0051	0.0681	0.0602
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0043	0.0499	0.0535
Schistosoma mansoni	lipoxygenase	0.0223	0.4261	0.4317
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0051	0.0681	0.001
Giardia lamblia	DNA topoisomerase II	0.0062	0.0902	0.1617
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0117	0.2045	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0518	0.0476
Schistosoma mansoni	kinase	0.0165	0.3044	0.3084
Brugia malayi	serine/threonine-protein kinase 6	0.0117	0.2045	0.2041
Brugia malayi	serine/threonine kinase 12	0.0117	0.2045	0.2041
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2645	0.2613
Loa Loa (eye worm)	TOPoisomerase family member	0.0065	0.0962	0.0921
Schistosoma mansoni	nephrin	0.0048	0.0621	0.063
Loa Loa (eye worm)	TK/INSR protein kinase	0.0374	0.7387	0.7375
Schistosoma mansoni	cell adhesion molecule	0.0051	0.0667	0.0676
Brugia malayi	Protein kinase domain containing protein	0.0159	0.2913	0.2923
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.2045	1
Schistosoma mansoni	tyrosine kinase	0.0435	0.8665	0.8778
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0065	0.0962	0.0939
Echinococcus multilocularis	ryanodine receptor 44f	0.0399	0.7919	0.9135
Echinococcus granulosus	twitchin	0.0045	0.0557	0.0602
Toxoplasma gondii	aurora kinase	0.0117	0.2045	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0066	0.0993	0.039
Loa Loa (eye worm)	hypothetical protein	0.008	0.1273	0.1234
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0375	0.741	0.7497
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0044	0.0006
Echinococcus granulosus	ryanodine receptor 44f	0.0312	0.6092	0.7017
Schistosoma mansoni	tyrosine kinase	0.0374	0.7387	0.7483
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0066	0.0993	0.4709
Brugia malayi	dihydrofolate reductase family protein	0.0174	0.3223	0.3239
Echinococcus granulosus	stromal cell derived factor 2	0.0033	0.03	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0711	0.067
Schistosoma mansoni	nephrin	0.0024	0.0106	0.0108
Entamoeba histolytica	DNA topoisomerase II, putative	0.0065	0.0962	0.379
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0051	0.0681	0.064
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0117	0.2045	1
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0117	0.2045	0.2327
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.2045	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0066	0.0993	0.039
Brugia malayi	Protein kinase domain containing protein	0.0374	0.7387	0.7473
Plasmodium vivax	multidomain scavenger receptor, putative	0.008	0.1273	0.6116
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.0579	0.0627
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0066	0.0993	0.4709
Loa Loa (eye worm)	TK protein kinase	0.0043	0.0499	0.0457
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0065	0.0962	0.379
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0045	0.0547	0.059
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0117	0.2045	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Brugia malayi	plexin A	0.0021	0.0047	0.0009
Echinococcus granulosus	dihydrofolate reductase	0.0174	0.3223	0.3691
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0117	0.2045	0.2327
Loa Loa (eye worm)	hypothetical protein	0.0227	0.434	0.4315
Echinococcus granulosus	epidermal growth factor receptor	0.0435	0.8665	1
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0151	0.2749	0.2785
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0058	0.0826	0.0186
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0046	0.0579	0.0627
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0024	0.0106	0.0062
Schistosoma mansoni	tyrosine kinase	0.002	0.0038	0.0038
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.0657	0.0718
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0021	0.0044	0.0007
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.2045	1
Brugia malayi	serine/threonine protein kinase 6	0.0117	0.2045	0.2041
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0024	0.0106	0.0079
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0021	0.0057	0.5
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.8861	1
Schistosoma mansoni	stromal cell-derived factor 2 precursor-like protein	0.0033	0.03	0.0304
Echinococcus granulosus	ryanodine receptor 44f	0.0399	0.7919	0.9135
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0024	0.0106	0.0069
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.2045	0.201
Echinococcus multilocularis	insulin receptor	0.0374	0.7387	0.8518
Brugia malayi	Fibronectin type III domain containing protein	0.0041	0.0457	0.0427
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0041	0.0457	0.0427
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0024	0.0106	0.0079
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0024	0.0106	0.0079
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Echinococcus granulosus	tyrosine protein kinase HCK	0.0043	0.0499	0.0535
Brugia malayi	Dihydrofolate reductase	0.0174	0.3223	0.3239
Onchocerca volvulus		0.008	0.1273	0.1535
Echinococcus granulosus	ephrin type A receptor 4 A	0.0082	0.1315	0.1481
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0681	0.2186
Loa Loa (eye worm)	hypothetical protein	0.0312	0.6092	0.6075
Echinococcus granulosus	tyrosine kinase	0.0046	0.0579	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0279	0.0236
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.005	0.0657	0.0718
Brugia malayi	Protein kinase domain containing protein	0.0273	0.5289	0.534
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.8861	0.8972
Echinococcus granulosus	roundabout 2	0.0059	0.0831	0.0919
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0058	0.0826	0.0186
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0174	0.3223	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Displacement of radioligand from mu opioid receptor	ChEMBL.	18499305
IC50 (binding)	> 10 uM	Displacement of [3H]U-69593 from kappa opioid receptor	ChEMBL.	18499305
Ki (binding)	= 320 nM	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by liquid scintillation analyzer	ChEMBL.	18499305

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: CHEMBL518434

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1012539