TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.485 | Formula: C21H27N7O2
H donors: 1 H acceptors: 4 LogP: 2.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)c1onc(n1)c1nc2c(n1C)cccc2)NC1CCCCC1
InChi: 1S/C21H27N7O2/c1-26-17-10-6-5-9-16(17)23-19(26)18-24-21(30-25-18)28-13-11-27(12-14-28)20(29)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,22,29)
InChiKey: TZRJKDHJICAYCR-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	smoothened, frizzled class receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998
Echinococcus granulosus	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134998	All targets in OG5_134998

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
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0138	0.1855
Echinococcus granulosus	solute carrier family 22	0.0015	0.0017	0.0017
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.0143	0.0404
Schistosoma mansoni	sugar transporter	0.0015	0.0017	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Schistosoma mansoni	hypothetical protein	0.0066	0.0376	0.036
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0376	0.0376
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0146	0.1973
Echinococcus granulosus	calcium dependent protein kinase	0.0031	0.0129	0.0129
Onchocerca volvulus		0.0015	0.0017	0.0009
Echinococcus multilocularis	musashi	0.0026	0.0097	0.0097
Plasmodium falciparum	protein kinase 7	0.0304	0.2063	0.6542
Echinococcus granulosus	solute carrier family 22	0.0015	0.0017	0.0017
Brugia malayi	MH1 domain containing protein	0.0019	0.0041	0.0077
Onchocerca volvulus		0.0015	0.0017	0.0009
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0174	0.1141	0.3595
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0138	0.0138
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Loa Loa (eye worm)	MH1 domain-containing protein	0.0015	0.0016	0.0039
Brugia malayi	Sugar transporter family protein	0.0015	0.0017	0.0017
Echinococcus granulosus	mothers against decapentaplegic 6	0.0015	0.0016	0.0016
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.0143	0.0348
Brugia malayi	intermediate filament protein	0.0026	0.0097	0.0212
Leishmania major	protein kinase, putative	0.0033	0.0143	0.7919
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Brugia malayi	MH2 domain containing protein	0.0494	0.3411	0.8304
Brugia malayi	hypothetical protein	0.0015	0.0017	0.0017
Schistosoma mansoni	frizzled-like receptor	0.0018	0.0041	0.0025
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Schistosoma mansoni	sugar transporter	0.0015	0.0017	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.008	0.0194
Echinococcus multilocularis	microtubule associated protein 2	0.1422	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Echinococcus granulosus	lamin dm0	0.0026	0.0097	0.0097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0494	0.3411	0.8308
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.0143	0.7919
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0208	0.1383	0.3353
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Echinococcus granulosus	frizzled	0.0018	0.0041	0.0041
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.008	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0148	0.0361
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0148	0.0148
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0146	0.8107
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.0143	0.0404
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Onchocerca volvulus		0.0015	0.0017	0.0009
Leishmania major	glucose transporter, lmgt3	0.0033	0.0146	0.8107
Plasmodium falciparum	proline--tRNA ligase	0.0038	0.0176	0.051
Onchocerca volvulus		0.0026	0.0097	0.1293
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0208	0.1383	0.3369
Loa Loa (eye worm)	TAR-binding protein	0.0592	0.4106	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0146	0.8107
Echinococcus granulosus	smoothened	0.041	0.2819	0.2819
Echinococcus multilocularis	frizzled 10	0.0018	0.0041	0.0041
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0376	0.0376
Brugia malayi	MH1 domain containing protein	0.0019	0.0041	0.0077
Schistosoma mansoni	tar DNA-binding protein	0.0592	0.4106	0.4096
Echinococcus granulosus	lamin	0.0026	0.0097	0.0097
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.0143	0.0617
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.0672	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.008	0.3046
Brugia malayi	TAR-binding protein	0.0592	0.4106	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0017	0.0041
Echinococcus multilocularis	lamin	0.0026	0.0097	0.0097
Echinococcus granulosus	mothers against decapentaplegic 2	0.0015	0.0016	0.0016
Schistosoma mansoni	protein kinase	0.0033	0.0143	0.0127
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0138	0.0313
Onchocerca volvulus		0.0015	0.0017	0.0009
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0138	0.0122
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0097	0.0236
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0138	0.0138
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0376	0.0893
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0138	1
Echinococcus multilocularis	tumor protein p63	0.0705	0.4908	0.4908
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0146	0.8107
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0138	0.9253
Echinococcus granulosus	smad	0.0034	0.0148	0.0148
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0038	0.0176	0.0779
Onchocerca volvulus	Putative transporter	0.0015	0.0017	0.0009
Brugia malayi	latrophilin 2 splice variant baaae	0.0142	0.0917	0.2214
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0174	0.1141	0.3595
Entamoeba histolytica	protein kinase, putative	0.0033	0.0143	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0054	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.0143	0.0404
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0039	0.1383
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0015	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1383	0.3369
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0146	0.1973
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0146	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Onchocerca volvulus		0.0015	0.0017	0.0009
Brugia malayi	hypothetical protein	0.0015	0.0017	0.0017
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0376	0.0376
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0176	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0176	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0017	0.0041
Schistosoma mansoni	glucose transport protein	0.0107	0.0672	0.0657
Entamoeba histolytica	protein kinase, putative	0.0033	0.0143	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0208	0.1383	0.3353
Onchocerca volvulus		0.0015	0.0017	0.0009
Brugia malayi	Smad1	0.0034	0.0148	0.0337
Onchocerca volvulus		0.0015	0.0017	0.0009
Plasmodium vivax	hexose transporter	0.0107	0.0672	0.2094
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0376	0.0376
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0017	0.5
Echinococcus multilocularis	smad	0.0034	0.0148	0.0148
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.008	1
Echinococcus granulosus	tumor protein p63	0.0705	0.4908	0.4908
Schistosoma mansoni	frizzled-like receptor	0.0018	0.0041	0.0025
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0017	0.0017
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0148	0.0148
Echinococcus granulosus	Smad4	0.0034	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Schistosoma mansoni	hypothetical protein	0.0142	0.0917	0.0902
Loa Loa (eye worm)	nuclear factor I	0.0019	0.0041	0.0101
Brugia malayi	hypothetical protein	0.0015	0.0017	0.0017
Loa Loa (eye worm)	sugar transporter	0.0107	0.0672	0.1636
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.0143	0.0404
Echinococcus granulosus	intermediate filament protein	0.0026	0.0097	0.0097
Onchocerca volvulus		0.0015	0.0017	0.0009
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0148	0.0148
Schistosoma mansoni	Smad4	0.0034	0.0148	0.0132
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0146	0.8107
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0176	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0138	0.0313
Schistosoma mansoni	hypothetical protein	0.0066	0.0376	0.036
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0138	0.0337
Trypanosoma cruzi	hexose transporter	0.0033	0.0146	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0016	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0097	0.0212
Loa Loa (eye worm)	RNA binding protein	0.0592	0.4106	1
Brugia malayi	MH1 domain containing protein	0.0034	0.0148	0.0337
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0146	0.1973
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Schistosoma mansoni	frizzled	0.0018	0.0041	0.0025
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0148	0.0148
Onchocerca volvulus		0.0015	0.0017	0.0009
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.008	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Plasmodium falciparum	protein kinase 6	0.0456	0.3145	1
Echinococcus multilocularis	tar DNA binding protein	0.0592	0.4106	0.4106
Brugia malayi	MH2 domain containing protein	0.0015	0.0016	0.0015
Plasmodium falciparum	hexose transporter	0.0107	0.0672	0.2094
Schistosoma mansoni	glucose transport protein	0.0107	0.0672	0.0657
Schistosoma mansoni	protein kinase	0.0033	0.0143	0.0127
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.0143	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.008	0.0064
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0148	0.0132
Brugia malayi	Sugar transporter family protein	0.0015	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0094	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0376	0.0915
Schistosoma mansoni	tar DNA-binding protein	0.0592	0.4106	0.4096
Echinococcus multilocularis	General substrate transporter	0.0092	0.0565	0.0565
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.008	0.0961
Onchocerca volvulus		0.0015	0.0017	0.0009
Toxoplasma gondii	protein kinase, putative	0.0304	0.2063	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.0143	0.0617
Onchocerca volvulus		0.0015	0.0017	0.0009
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.008	0.008
Schistosoma mansoni	glucose transport protein	0.0107	0.0672	0.0657
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0059	0.0641
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0097	0.0081
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0146	0.8107
Brugia malayi	Cam kinase protein 1	0.0033	0.0143	0.0325
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.001	0.0024
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0018	0.0041	0.0075
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.008	0.008
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0376	0.0893
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0146	0.1973
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0146	0.1973
Echinococcus granulosus	frizzled	0.0018	0.0041	0.0041
Brugia malayi	MH2 domain containing protein	0.0034	0.0148	0.0337
Echinococcus granulosus	frizzled 5	0.0018	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Echinococcus granulosus	GPCR family 2	0.0066	0.0376	0.0376
Echinococcus granulosus	solute carrier family 22	0.0015	0.0017	0.0017
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0148	0.0132
Schistosoma mansoni	sugar transporter	0.0015	0.0017	0.0001
Leishmania major	glucose transporter, lmgt2	0.0033	0.0146	0.8107
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0018	0.0041	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0143	0.0348
Echinococcus granulosus	frizzled	0.0018	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0917	0.2233
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0146	0.8107
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0017	0.0017
Echinococcus multilocularis	frizzled	0.0018	0.0041	0.0041
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0003	0.0008
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0146	0.8107
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Echinococcus multilocularis	calcium dependent protein kinase	0.0031	0.0129	0.0129
Brugia malayi	major facilitator superfamily protein	0.0015	0.0017	0.0017
Schistosoma mansoni	sugar transporter	0.0015	0.0017	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0138	0.0337
Brugia malayi	major facilitator superfamily protein	0.0015	0.0017	0.0017
Onchocerca volvulus		0.0015	0.0017	0.0009
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0017	0.0001
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0174	0.1141	0.5495
Schistosoma mansoni	lamin	0.0026	0.0097	0.0081
Onchocerca volvulus		0.0026	0.0097	0.1293
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.0143	0.0404
Loa Loa (eye worm)	frizzled/Smoothened family membrane region containing protein	0.0018	0.0041	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0402	0.2759	0.6718
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0095	0.0232
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0017	0.0017
Echinococcus multilocularis	Smad4	0.0034	0.0148	0.0148
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.008	0.017
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.0143	0.0325
Echinococcus granulosus	solute carrier family 22	0.0015	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0592	0.4106	1
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0138	1
Onchocerca volvulus		0.0015	0.0017	0.0009
Brugia malayi	Sugar transporter family protein	0.0107	0.0672	0.1616
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0376	0.0376
Loa Loa (eye worm)	Smad1	0.0034	0.0148	0.0361
Schistosoma mansoni	cellular tumor antigen P53	0.0103	0.0641	0.0626
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0017	0.0017
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.008	0.0201
Schistosoma mansoni	tar DNA-binding protein	0.0592	0.4106	0.4096
Loa Loa (eye worm)	transcription factor SMAD2	0.0494	0.3411	0.8308
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.0143	0.0404
Brugia malayi	RNA binding protein	0.0592	0.4106	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0097	0.0097
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.008	0.5182
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0146	0.8107
Echinococcus granulosus	General substrate transporter	0.0092	0.0565	0.0565
Onchocerca volvulus		0.0015	0.0017	0.0009
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.008	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0148	0.0132
Schistosoma mansoni	tar DNA-binding protein	0.0592	0.4106	0.4096
Schistosoma mansoni	protein kinase	0.0033	0.0143	0.0127
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0143	0.0127
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0146	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Schistosoma mansoni	lamin	0.0026	0.0097	0.0081
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0017	0.0017
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0097	0.0236
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0017	0.0041
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0017	0.0017
Echinococcus multilocularis	frizzled 4	0.0018	0.0041	0.0041
Brugia malayi	MH2 domain containing protein	0.0034	0.0148	0.0337
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0038	0.0176	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0376	0.036
Echinococcus multilocularis	frizzled	0.0018	0.0041	0.0041
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Brugia malayi	RNA recognition motif domain containing protein	0.0592	0.4106	1
Schistosoma mansoni	hypothetical protein	0.0107	0.0672	0.0657
Onchocerca volvulus		0.0015	0.0017	0.0009
Onchocerca volvulus		0.0015	0.0017	0.0009
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Plasmodium vivax	proline--tRNA ligase, putative	0.0038	0.0176	0.051
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0107	0.0672	0.0672
Onchocerca volvulus		0.0103	0.0641	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0138	0.0122
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0146	0.8107
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0148	0.0361
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0054	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.0143	0.0404
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.008	0.0308
Brugia malayi	MH1 domain containing protein	0.0034	0.0148	0.0337
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0017	0.0017
Schistosoma mansoni	smad	0.0034	0.0148	0.0132
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.0143	0.0348
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0017	0.0017
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0107	0.0672	0.0672
Schistosoma mansoni	hypothetical protein	0.0066	0.0376	0.036
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0097	0.0236
Leishmania major	glucose transporter, lmgt1	0.0033	0.0146	0.8107
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.008	0.0201
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0017	0.0017
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0038	0.0176	1
Echinococcus granulosus	frizzled 4	0.0018	0.0041	0.0041
Schistosoma mansoni	tar DNA-binding protein	0.0592	0.4106	0.4096
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.008	0.395
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0148	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.0101
Schistosoma mansoni	microtubule-associated protein tau	0.1422	1	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0641	0.1562
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.008	0.395
Echinococcus granulosus	tar DNA binding protein	0.0592	0.4106	0.4106
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0146	0.1973
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0456	0.3145	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0017	0.0041
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0143	0.1927
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.0143	0.0404
Loa Loa (eye worm)	MH2 domain-containing protein	0.0015	0.0016	0.0039
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0015	0.0016	0.0016
Toxoplasma gondii	facilitative glucose transporter GT1	0.0107	0.0672	0.3201
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0376	0.0915
Brugia malayi	Frizzled/Smoothened family membrane region containing protein	0.0018	0.0041	0.0075
Echinococcus multilocularis	smoothened	0.041	0.2819	0.2819
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.008	0.395
Schistosoma mansoni	glucose transporter	0.0015	0.0017	0.0001
Brugia malayi	mothers against decapentaplegic homolog 3	0.0015	0.0016	0.0015
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0017	0.0017
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.0143	0.0617
Echinococcus multilocularis	frizzled 5	0.0018	0.0041	0.0041

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3 nM	Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis	ChEMBL.	21803580
IC50 (functional)	= 5 nM	Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay	ChEMBL.	21803580
IC50 (binding)	= 33 nM	Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis	ChEMBL.	21803580

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	21803580

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: CHEMBL1823863

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1035764