TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 564.623 | Formula: C26H31F3N6O3S
H donors: 2 H acceptors: 5 LogP: 4.18 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: N#C[C@H]1C[C@H](CC[C@@H]1n1nc(c(c1)C(=O)N)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)N(C(C1CC1)C1CC1)C
InChi: 1S/C26H31F3N6O3S/c1-34(23(15-2-3-15)16-4-5-16)19-8-11-22(17(12-19)13-30)35-14-21(24(31)36)25(33-35)32-18-6-9-20(10-7-18)39(37,38)26(27,28)29/h6-7,9-10,14-17,19,22-23H,2-5,8,11-12H2,1H3,(H2,31,36)(H,32,33)/t17-,19+,22+/m1/s1
InChiKey: LPDALTSUHRZDIS-LZNRXBQRSA-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	Janus kinase 2	Starlite/ChEMBL	No references
Homo sapiens	Janus kinase 1	Starlite/ChEMBL	No 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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma brucei	Calpain-like protein 1.2	0.0226	0.0687	0.2052
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Schistosoma mansoni	calpain (C02 family)	0.0752	0.3323	0.3323
Trypanosoma brucei	cytoskeleton-associated protein CAP5.5, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	calpain	0.0752	0.3323	0.3319
Schistosoma mansoni	hypothetical protein	0.0226	0.0687	0.0687
Schistosoma mansoni	reticulocalbin	0.009	0.0006	0.0006
Loa Loa (eye worm)	LGC-31 protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	calpain 5	0.0526	0.219	0.2289
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.019	0.0507	0.0502
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Schistosoma mansoni	acetylcholine receptor subunit beta	0.019	0.0507	0.0507
Schistosoma mansoni	neuronal calcium sensor	0.009	0.0006	0.0006
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0222	0.0667	0.0693
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.019	0.0507	0.0525
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0222	0.0667	0.0693
Echinococcus granulosus	calpain 7 C02 family	0.0752	0.3323	0.3319
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0081	0.0079
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0105	0.0081	0.0081
Echinococcus multilocularis	glycine receptor subunit beta	0.0412	0.1621	0.1616
Plasmodium falciparum	calpain	0.0226	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	calpain D	0.0226	0.0687	0.0713
Schistosoma mansoni	mitochondrial solute carrier	0.009	0.0006	0.0006
Schistosoma mansoni	ef hand domain family member A2	0.009	0.0006	0.0006
Loa Loa (eye worm)	ACC-1 protein	0.0412	0.1621	0.1693
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0412	0.1621	0.1616
Trypanosoma brucei	Calpain-like protein CALP1.3	0.0226	0.0687	0.2052
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0752	0.3323	0.3323
Schistosoma mansoni	neuronal calcium sensor	0.009	0.0006	0.0006
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0412	0.1621	0.1616
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.019	0.0507	0.0502
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	reticulocalbin	0.009	0.0006	0.0006
Schistosoma mansoni	calpain-7 (C02 family)	0.0752	0.3323	0.3323
Onchocerca volvulus		0.019	0.0507	0.0869
Trichomonas vaginalis	hypothetical protein	0.0226	0.0687	1
Loa Loa (eye worm)	integrin beta-2	0.0287	0.0994	0.1036
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0222	0.0667	0.0667
Onchocerca volvulus		0.0412	0.1621	0.2799
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0412	0.1621	0.1693
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma brucei	calpain, putative	0.0226	0.0687	0.2052
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.1241	0.5777	0.6049
Schistosoma mansoni	calmodulin related calcium binding protein	0.009	0.0006	0.0006
Trypanosoma brucei	calpain-like protein, putative	0.0752	0.3323	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0412	0.1621	0.1616
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Echinococcus multilocularis	calpain	0.0752	0.3323	0.3319
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.019	0.0507	0.0502
Schistosoma mansoni	calpain-7 (C02 family)	0.0752	0.3323	0.3323
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.2083	1	1
Schistosoma mansoni	calmodulin	0.009	0.0006	0.0006
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.2083	1	1
Echinococcus multilocularis	integrin beta 2	0.0213	0.062	0.0615
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0412	0.1621	0.1621
Trypanosoma brucei	hypothetical protein	0.0226	0.0687	0.2052
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0198	0.0548	0.0542
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0412	0.1621	0.1693
Brugia malayi	hypothetical protein	0.019	0.0507	0.0525
Echinococcus multilocularis	calpain 5	0.0752	0.3323	0.3319
Schistosoma mansoni	centrin	0.009	0.0006	0.0006
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0412	0.1621	0.1693
Trypanosoma brucei	calpain-like protein, putative	0.0752	0.3323	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Onchocerca volvulus		0.019	0.0507	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Onchocerca volvulus		0.0222	0.0667	0.1146
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0412	0.1621	0.1616
Loa Loa (eye worm)	hypothetical protein	0.1767	0.8414	0.8812
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0412	0.1621	0.1616
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Trypanosoma brucei	cysteine peptidase, putative	0.0226	0.0687	0.2052
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Leishmania major	hypothetical protein, conserved	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	neuronal calcium sensor	0.009	0.0006	0.0006
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.019	0.0507	0.0502
Toxoplasma gondii	calpain family cysteine protease domain-containing protein	0.0226	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Echinococcus multilocularis	calpain family protein 1, d	0.1467	0.6911	0.6909
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Schistosoma mansoni	Sarcoplasmic calcium-binding protein (SCP).	0.009	0.0006	0.0006
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Leishmania major	cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.019	0.0507	0.0525
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.019	0.0507	0.0502
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0222	0.0667	0.0667
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0412	0.1621	0.1693
Schistosoma mansoni	calmodulin	0.009	0.0006	0.0006
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0412	0.1621	0.1616
Loa Loa (eye worm)	acetylcholine receptor protein	0.019	0.0507	0.0525
Leishmania major	calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0412	0.1621	0.1693
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0412	0.1621	0.1621
Onchocerca volvulus		0.0222	0.0667	0.1146
Trypanosoma cruzi	conserved protein	0.0226	0.0687	0.2052
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0105	0.0081	0.0079
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Trypanosoma brucei	Calpain-like protein 1.1	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0198	0.0548	0.0568
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0222	0.0667	0.0693
Schistosoma mansoni	hypothetical protein	0.009	0.0006	0.0006
Onchocerca volvulus		0.0412	0.1621	0.2799
Brugia malayi	Cation transporter family protein	0.0412	0.1621	0.1693
Echinococcus multilocularis	calpain A	0.2083	1	1
Loa Loa (eye worm)	hypothetical protein	0.0226	0.0687	0.0713
Brugia malayi	calpain D	0.0226	0.0687	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Schistosoma mansoni	nAChR subunit	0.019	0.0507	0.0507
Trichomonas vaginalis	conserved hypothetical protein	0.0226	0.0687	1
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0412	0.1621	0.1693
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trichomonas vaginalis	calpain, putative	0.0226	0.0687	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0412	0.1621	0.1693
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	acetylcholine receptor-related	0.019	0.0507	0.0507
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0412	0.1621	0.1621
Echinococcus multilocularis	glycine receptor subunit beta	0.0412	0.1621	0.1616
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0752	0.3323	1
Loa Loa (eye worm)	calpain family protein 1	0.1467	0.6911	0.7237
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0526	0.219	1
Brugia malayi	calpain 5	0.0226	0.0687	0.0713
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Echinococcus granulosus	glycine receptor subunit beta	0.0412	0.1621	0.1616
Echinococcus multilocularis	nAChR subunit	0.0222	0.0667	0.0662
Onchocerca volvulus		0.0412	0.1621	0.2799
Schistosoma mansoni	neurotransmitter gated ion channel	0.0222	0.0667	0.0667
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0412	0.1621	0.1616
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.019	0.0507	0.0525
Schistosoma mansoni	nAChR subunit	0.019	0.0507	0.0507
Schistosoma mansoni	integrin beta subunit	0.0169	0.0402	0.0402
Leishmania major	calpain protease-like protein	0.0226	0.0687	0.2052
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0412	0.1621	0.1616
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma brucei	kinesin, putative	0.0526	0.219	0.6584
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0198	0.0548	0.0568
Trypanosoma brucei	calpain-like protein, putative	0.0752	0.3323	1
Echinococcus multilocularis	calpain 7 (C02 family)	0.0752	0.3323	0.3319
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0412	0.1621	0.1616
Echinococcus multilocularis	nAChR subunit	0.0412	0.1621	0.1616
Schistosoma mansoni	calpain C (C02 family)	0.0752	0.3323	0.3323
Onchocerca volvulus		0.0412	0.1621	0.2799
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0412	0.1621	0.1621
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0412	0.1621	0.1616
Onchocerca volvulus		0.019	0.0507	0.0869
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Trypanosoma brucei	glucosamine 6-phosphate n-acetyltransferase	0.0226	0.0687	0.2052
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	neuronal calcium sensor	0.009	0.0006	0.0006
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0752	0.3323	1
Schistosoma mansoni	calpain-2 (C02 family)	0.0226	0.0687	0.0687
Trypanosoma cruzi	kinesin, putative	0.0526	0.219	0.6584
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.2083	1	1
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Echinococcus granulosus	nAChR subunit	0.0412	0.1621	0.1616
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.2083	1	1
Toxoplasma gondii	hypothetical protein	0.0226	0.0687	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	nAChR subunit	0.0222	0.0667	0.0662
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0412	0.1621	0.1693
Brugia malayi	hypothetical protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.019	0.0507	0.0525
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0198	0.0548	0.0548
Brugia malayi	Cation transporter family protein	0.0412	0.1621	0.1693
Leishmania major	hypothetical protein, unknown function	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Echinococcus granulosus	glycine receptor subunit beta	0.0412	0.1621	0.1616
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0412	0.1621	0.1693
Onchocerca volvulus		0.1241	0.5777	1
Brugia malayi	Integrin beta pat-3 precursor	0.0287	0.0994	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Onchocerca volvulus	Putative nachr subunit	0.0412	0.1621	0.2799
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Trypanosoma brucei	calpain-like protein, putative	0.0752	0.3323	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0222	0.0667	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	neurotransmitter gated ion channel	0.019	0.0507	0.0507
Trypanosoma cruzi	kinesin, putative	0.0526	0.219	0.6584
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0412	0.1621	0.1621
Schistosoma mansoni	neurotransmitter gated ion channel	0.019	0.0507	0.0507
Brugia malayi	calpain family protein 1	0.1993	0.9547	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0752	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Echinococcus multilocularis	hypothetical protein	0.0752	0.3323	0.3319
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0412	0.1621	0.1616
Echinococcus granulosus	calpain A	0.0752	0.3323	0.3319
Loa Loa (eye worm)	hypothetical protein	0.1467	0.6911	0.7237
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0412	0.1621	0.1616
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Brugia malayi	calpain 7	0.0752	0.3323	0.3477
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0198	0.0548	0.0542
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Leishmania major	calpain family cysteine protease-like protein	0.0226	0.0687	0.2052
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0412	0.1621	0.1616
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Brugia malayi	hypothetical protein	0.019	0.0507	0.0525
Giardia lamblia	Hypothetical protein	0.009	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412	0.1621	0.1693
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0412	0.1621	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Plasmodium vivax	calpain, putative	0.0752	0.3323	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0412	0.1621	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0412	0.1621	0.1616
Trypanosoma brucei	Calpain-like protein 2	0.0226	0.0687	0.2052
Trichomonas vaginalis	calpain, putative	0.0226	0.0687	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	calpain	0.0752	0.3323	0.3477
Brugia malayi	hypothetical protein	0.019	0.0507	0.0525
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Echinococcus granulosus	integrin beta 2	0.0213	0.062	0.0615
Entamoeba histolytica	hypothetical protein	0.0222	0.0667	0.3028
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0412	0.1621	0.1693
Schistosoma mansoni	calcium binding atopy-related autoantigen	0.009	0.0006	0.0006
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Onchocerca volvulus		0.0412	0.1621	0.2799
Brugia malayi	hypothetical protein	0.019	0.0507	0.0525
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.1993	0.9547	0.9547
Entamoeba histolytica	protein kinase, putative	0.0526	0.219	1
Schistosoma mansoni	centrin-related	0.009	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.009	0.0006	0.0006
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0412	0.1621	0.1616
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Echinococcus granulosus	calpain 5	0.0752	0.3323	0.3319
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0412	0.1621	0.1693
Loa Loa (eye worm)	calpain family protein 1	0.1993	0.9547	1
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0226	0.0687	0.2052
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0226	0.0687	1
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0412	0.1621	0.1693
Brugia malayi	calpain 5	0.0526	0.219	0.2289
Trypanosoma brucei	antigen, putative	0.0752	0.3323	1
Schistosoma mansoni	nAChR subunit	0.0412	0.1621	0.1621
Brugia malayi	Cation transporter family protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	GABA receptor subunit	0.0222	0.0667	0.0693
Loa Loa (eye worm)	ACC-1 protein	0.0412	0.1621	0.1693
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.019	0.0507	0.0525
Trichomonas vaginalis	calpain, putative	0.0226	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Trypanosoma brucei	calpain, putative	0.0226	0.0687	0.2052
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Entamoeba histolytica	calpain family cysteine protease, putative	0.0226	0.0687	0.3117
Brugia malayi	calpain family protein 1	0.1993	0.9547	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0226	0.0687	0.2052
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0667	0.0693
Leishmania major	kinesin, putative	0.0526	0.219	0.6584
Schistosoma mansoni	rab	0.009	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.019	0.0507	0.0525
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0226	0.0687	0.2052
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.019	0.0507	0.0525
Onchocerca volvulus		0.0412	0.1621	0.2799
Loa Loa (eye worm)	hypothetical protein	0.1993	0.9547	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0412	0.1621	0.1693
Schistosoma mansoni	peptidylglycine monooxygenase	0.0105	0.0081	0.0081

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 nM	BindingDB_Patents: HTRF Assay. The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 mL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 uL of 1.11x enzyme and 1.11x substrate in 1x assay buffer (Invitrogen kinase buffer #PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at ambient temperature to allow compound binding to equilibrate. After equilibration, 2 uL of 10xATP in 1x assay buffer was added to initiate the kinase reaction.	ChEMBL.	No reference

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1954441