TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 415.421 | Formula: C19H22FN7O3
H donors: 4 H acceptors: 3 LogP: 0.99 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=N)c1cn2[C@@H](C)COc3c2c(c1=O)c(N)c(c3NCCCn1cncc1)F
InChi: 1S/C19H22FN7O3/c1-10-8-30-18-15(24-3-2-5-26-6-4-23-9-26)13(20)14(21)12-16(18)27(10)7-11(17(12)28)19(22)25-29/h4,6-7,9-10,24,29H,2-3,5,8,21H2,1H3,(H2,22,25)/t10-/m0/s1
InChiKey: XKAGAANVUVPZPH-JTQLQIEISA-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
Homo sapiens	glycogen synthase kinase 3 beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium falciparum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium knowlesi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium parvum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	ko:K08822 glycogen synthase kinase 3 alpha, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania mexicana	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Neospora caninum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium vivax	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania donovani	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania braziliensis	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Theileria parva	glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium berghei	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Onchocerca volvulus		Get druggable targets OG5_126888	All targets in OG5_126888
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	Serine/threonine protein kinase required for induction of IME2 by Ime1p	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	Get druggable targets OG5_126888	All targets in OG5_126888

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
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.1345	0.3633	0.3633
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0089	0.0089
Brugia malayi	Cation transporter family protein	0.0664	0.1695	0.1695
Echinococcus granulosus	integrin alpha ps	0.0362	0.0836	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1238	0.1238
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0664	0.1695	0.1695
Onchocerca volvulus		0.1121	0.2995	0.8224
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	RNA recognition motif domain containing protein	0.0136	0.0193	0.0193
Onchocerca volvulus		0.1121	0.2995	0.8224
Schistosoma mansoni	hypothetical protein	0.0362	0.0836	0.1408
Giardia lamblia	Tenascin precursor	0.0083	0.0045	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0664	0.1695	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Giardia lamblia	High cysteine protein	0.0083	0.0045	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0693	0.1779	0.2998
Echinococcus multilocularis	small conductance calcium activated potassium	0.0965	0.2551	0.3343
Echinococcus multilocularis	G protein coupled receptor 139	0.0446	0.1077	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	neurotransmitter gated ion channel	0.0358	0.0824	0.1389
Loa Loa (eye worm)	hypothetical protein	0.0393	0.0924	0.0924
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Echinococcus granulosus	neuropeptide receptor	0.0446	0.1077	0.1376
Toxoplasma gondii	hypothetical protein	0.0083	0.0045	0.5
Brugia malayi	Pre-SET motif family protein	0.0218	0.0427	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0306	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	EGF-like domain containing protein	0.0083	0.0045	0.0045
Loa Loa (eye worm)	integrin alpha pat-2	0.2261	0.6237	0.6237
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.0493	0.5
Brugia malayi	Integrin alpha pat-2 precursor	0.1682	0.4591	0.4591
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.0427	0.0427
Brugia malayi	Trypsin family protein	0.0618	0.1565	0.1565
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.1345	0.3633	0.4786
Brugia malayi	hypothetical protein	0.0565	0.1415	0.1415
Echinococcus multilocularis	nAChR subunit	0.0358	0.0824	0.104
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.094	0.2481	0.2481
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0503	0.1238	0.1591
Loa Loa (eye worm)	hypothetical protein	0.1121	0.2995	0.2995
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.1121	0.2995	0.2995
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0664	0.1695	0.1695
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Echinococcus granulosus	integrin alpha 3	0.129	0.3475	0.4576
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0089	0.0089
Loa Loa (eye worm)	LGC-31 protein	0.0664	0.1695	0.1695
Echinococcus multilocularis	integrin alpha ps	0.0754	0.1952	0.2544
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0358	0.0824	0.0824
Brugia malayi	hypothetical protein	0.0306	0.0678	0.0678
Giardia lamblia	Tenascin-37	0.0083	0.0045	0.5
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0664	0.1695	0.1695
Schistosoma mansoni	integrin beta subunit	0.2154	0.5934	1
Brugia malayi	EGF-like domain containing protein	0.0083	0.0045	0.0045
Giardia lamblia	Neurogenic locus notch-like protein	0.0083	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0306	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0965	0.2551	0.2551
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0503	0.1238	0.1238
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.1345	0.3633	0.4786
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0193	0.0326
Loa Loa (eye worm)	acetylcholine receptor protein	0.0306	0.0678	0.0678
Onchocerca volvulus		0.0664	0.1695	0.4599
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0664	0.1695	0.2201
Echinococcus multilocularis	neuropeptide receptor	0.0446	0.1077	0.1376
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0358	0.0824	0.0824
Schistosoma mansoni	calcium-activated potassium channel	0.0965	0.2551	0.4299
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0358	0.0824	0.0824
Entamoeba histolytica	hypothetical protein	0.0358	0.0824	0.5
Onchocerca volvulus		0.0358	0.0824	0.2172
Loa Loa (eye worm)	hypothetical protein	0.0618	0.1565	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0306	0.0678	0.0678
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0664	0.1695	0.1695
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0815	0.2124	0.2774
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0664	0.1695	0.2201
Echinococcus granulosus	glycine receptor subunit beta	0.0664	0.1695	0.2201
Schistosoma mansoni	hypothetical protein	0.017	0.0292	0.0492
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0664	0.1695	0.2856
Brugia malayi	Cation transporter family protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0618	0.1565	0.1565
Onchocerca volvulus		0.1121	0.2995	0.8224
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.1345	0.3633	0.4786
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.094	0.2481	0.2481
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0628	0.1594	0.2687
Echinococcus granulosus	nAChR subunit	0.0664	0.1695	0.2201
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	EGF-like domain containing protein	0.0083	0.0045	0.0045
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0664	0.1695	0.1695
Echinococcus multilocularis	expressed conserved protein	0.0133	0.0185	0.0187
Schistosoma mansoni	integrin alpha-ps	0.0393	0.0924	0.1558
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0357	0.0822	0.0822
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0664	0.1695	0.1695
Echinococcus granulosus	microtubule associated protein 2	0.0693	0.1779	0.2313
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0664	0.1695	0.1695
Echinococcus multilocularis	tar DNA binding protein	0.0136	0.0193	0.0198
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0306	0.0678	0.0845
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0193	0.0326
Loa Loa (eye worm)	TAR-binding protein	0.0136	0.0193	0.0193
Brugia malayi	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0358	0.0824	0.1389
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0306	0.0678	0.0678
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Echinococcus multilocularis	nAChR subunit	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0358	0.0824	0.0824
Giardia lamblia	Tenascin-like	0.0083	0.0045	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0136	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Giardia lamblia	Tenascin-X	0.0083	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0618	0.1565	0.2638
Echinococcus granulosus	tar DNA binding protein	0.0136	0.0193	0.0198
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Onchocerca volvulus		0.0306	0.0678	0.1765
Loa Loa (eye worm)	hypothetical protein	0.032	0.0718	0.0718
Loa Loa (eye worm)	GABA receptor subunit	0.0358	0.0824	0.0824
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0193	0.0326
Echinococcus granulosus	nAChR subunit	0.0358	0.0824	0.104
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.1121	0.2995	0.5048
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0089	0.0089
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0306	0.0678	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0193	0.0326
Echinococcus granulosus	expressed conserved protein	0.0133	0.0185	0.0187
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0362	0.0836	0.0836
Brugia malayi	TAR-binding protein	0.0136	0.0193	0.0193
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0664	0.1695	0.1695
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0481	0.1175	0.1508
Echinococcus granulosus	glycine receptor subunit beta	0.0664	0.1695	0.2201
Echinococcus granulosus	integrin alpha ps	0.0754	0.1952	0.2544
Onchocerca volvulus		0.0358	0.0824	0.2172
Brugia malayi	excitatory GABA receptor EXP-1A	0.0664	0.1695	0.1695
Onchocerca volvulus		0.0664	0.1695	0.4599
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.1345	0.3633	0.3633
Onchocerca volvulus	Putative nachr subunit	0.1345	0.3633	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0306	0.0678	0.0678
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Echinococcus multilocularis	integrin alpha 3	0.129	0.3475	0.4576
Loa Loa (eye worm)	hypothetical protein	0.0815	0.2125	0.2125
Echinococcus granulosus	potassium voltage gated channel protein	0.0503	0.1238	0.1591
Brugia malayi	RNA binding protein	0.0136	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	integrin alpha-ps	0.0754	0.1952	0.329
Schistosoma mansoni	neurotransmitter gated ion channel	0.0306	0.0678	0.1143
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0664	0.1695	0.2201
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0306	0.0678	0.0678
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0306	0.0678	0.1143
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0664	0.1695	0.1695
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0664	0.1695	0.2201
Brugia malayi	hypothetical protein	0.0306	0.0678	0.0678
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0306	0.0678	0.0678
Brugia malayi	Kelch motif family protein	0.0565	0.1415	0.1415
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0358	0.0824	0.1389
Loa Loa (eye worm)	integrin beta-2	0.3584	1	1
Schistosoma mansoni	nAChR subunit	0.0306	0.0678	0.1143
Schistosoma mansoni	tar DNA-binding protein	0.0136	0.0193	0.0326
Schistosoma mansoni	neuropeptide receptor	0.0446	0.1077	0.1815
Schistosoma mansoni	voltage-gated potassium channel	0.0503	0.1238	0.2086
Echinococcus multilocularis	geminin	0.017	0.0292	0.0329
Giardia lamblia	Neurogenic locus Notch protein precursor	0.0083	0.0045	0.5
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.1121	0.2995	0.5048
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0565	0.1415	0.1415
Giardia lamblia	High cysteine protein	0.0083	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0045	0.0045
Onchocerca volvulus		0.0306	0.0678	0.1765
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0306	0.0678	0.0845
Loa Loa (eye worm)	RNA binding protein	0.0136	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Loa Loa (eye worm)	hypothetical protein	0.0565	0.1415	0.1415
Brugia malayi	Cation transporter family protein	0.1121	0.2995	0.2995
Schistosoma mansoni	voltage-gated potassium channel	0.0503	0.1238	0.2086
Brugia malayi	EGF-like domain containing protein	0.0083	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0045	0.0045
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.1345	0.3633	0.4786
Echinococcus multilocularis	integrin alpha ps	0.0754	0.1952	0.2544
Loa Loa (eye worm)	hypothetical protein	0.0306	0.0678	0.0678
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0527	0.0527
Schistosoma mansoni	nAChR subunit	0.0306	0.0678	0.1143
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.0513	1
Onchocerca volvulus		0.0664	0.1695	0.4599
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Echinococcus granulosus	small conductance calcium activated potassium	0.0965	0.2551	0.3343
Echinococcus multilocularis	integrin beta 2	0.272	0.7541	1
Schistosoma mansoni	acetylcholine receptor-related	0.0306	0.0678	0.1143
Loa Loa (eye worm)	ACC-1 protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	ACC-1 protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0928	0.2447	0.2447
Echinococcus granulosus	geminin	0.017	0.0292	0.0329
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0306	0.0678	0.0678
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Schistosoma mansoni	hypothetical protein	0.0965	0.2551	0.4299
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.1345	0.3633	0.4786
Echinococcus multilocularis	microtubule associated protein 2	0.0693	0.1779	0.2313
Echinococcus multilocularis	integrin alpha ps	0.0362	0.0836	0.1055
Echinococcus multilocularis	glycine receptor subunit beta	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0664	0.1695	0.1695
Onchocerca volvulus		0.0618	0.1565	0.4237
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Schistosoma mansoni	neurotransmitter gated ion channel	0.0306	0.0678	0.1143
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0664	0.1695	0.1695
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0664	0.1695	0.2856
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0306	0.0678	0.0845
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0306	0.0678	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Echinococcus granulosus	integrin beta 2	0.272	0.7541	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0045	0.0045
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0664	0.1695	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Onchocerca volvulus		0.0248	0.0513	0.1305
Onchocerca volvulus		0.0306	0.0678	0.1765
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.1345	0.3633	0.4786
Brugia malayi	Protein kinase domain containing protein	0.0169	0.029	0.029
Schistosoma mansoni	integrin alpha	0.1682	0.4591	0.7738
Schistosoma mansoni	hypothetical protein	0.017	0.0292	0.0492
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.1345	0.3633	0.3633
Echinococcus multilocularis	potassium voltage gated channel protein	0.0503	0.1238	0.1591
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0664	0.1695	0.2201
Schistosoma mansoni	calcium-activated potassium channel	0.0677	0.1732	0.292
Giardia lamblia	hypothetical protein	0.0083	0.0045	0.5
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.1321	0.3563	0.3563
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0045	0.0045
Brugia malayi	hypothetical protein	0.0306	0.0678	0.0678
Schistosoma mansoni	nAChR subunit	0.0664	0.1695	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0664	0.1695	0.1695
Loa Loa (eye worm)	hypothetical protein	0.0358	0.0824	0.0824
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0664	0.1695	0.2201
Onchocerca volvulus		0.0565	0.1416	0.3821
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0664	0.1695	0.2201
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0664	0.1695	0.2856

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 140 nM	Inhibition of GSK3-beta	ChEMBL.	22202172
MIC (ADMET)		Antibacterial activity against Escherichia coli ATCC 8739	ChEMBL.	22202172

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: CHEMBL1940984

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 1591137