TDR Targets

Basic information

Technical information

TDR Targets ID: 423757
Name: 2-[2-(3-fluorophenyl)pyridin-4-yl]-1,5,6,7-te trahydropyrrolo[3,2-c]pyridin-4-one
MW: 307.322 | Formula: C18H14FN3O
H donors: 2 H acceptors: 2 LogP: 2.41 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)c1nccc(c1)c1cc2c([nH]1)CCNC2=O
InChi: 1S/C18H14FN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
InChiKey: VPOIDAJRXSIWRX-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

2-[2-(3-fluorophenyl)-4-pyridyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase-activated protein kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus granulosus	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus multilocularis	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase-activated protein kinase 2	370 aa	303 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0428	0.1442	0.1442
Loa Loa (eye worm)	serotonin transporter b	0.0179	0.0473	0.0473
Onchocerca volvulus		0.0197	0.0545	0.1141
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Schistosoma mansoni	integrin alpha-ps	0.0531	0.1846	0.304
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.1231	0.4569	0.5983
Echinococcus multilocularis	integrin alpha ps	0.0531	0.1846	0.2396
Schistosoma mansoni	hypothetical protein	0.0255	0.0769	0.1231
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0877	0.3191	0.5299
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Brugia malayi	Trypsin family protein	0.0287	0.0896	0.0896
Giardia lamblia	Tenascin precursor	0.0064	0.0026	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Onchocerca volvulus		0.0179	0.0473	0.0982
Echinococcus granulosus	small conductance calcium activated potassium	0.0927	0.3384	0.4422
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0197	0.0545	0.0683
Schistosoma mansoni	hypothetical protein	0.0927	0.3384	0.5623
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Giardia lamblia	Neurogenic locus Notch protein precursor	0.0064	0.0026	1
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0428	0.1442	0.1442
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0428	0.1442	0.1864
Echinococcus multilocularis	integrin alpha 3	0.0909	0.3315	0.4331
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Schistosoma mansoni	nAChR subunit	0.0197	0.0545	0.0855
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Brugia malayi	hypothetical protein	0.0197	0.0545	0.0545
Giardia lamblia	hypothetical protein	0.0064	0.0026	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0428	0.1442	0.2362
Loa Loa (eye worm)	hypothetical protein	0.068	0.2423	0.2423
Schistosoma mansoni	integrin alpha-ps	0.0277	0.0854	0.1375
Echinococcus granulosus	integrin alpha 3	0.0909	0.3315	0.4331
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Schistosoma mansoni	neuropeptide receptor	0.0111	0.0208	0.0291
Brugia malayi	EGF-like domain containing protein	0.0064	0.0026	0.0026
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Echinococcus multilocularis	integrin alpha ps	0.0255	0.0769	0.0977
Echinococcus granulosus	nAChR subunit	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0026	0.0026
Schistosoma mansoni	acetylcholine receptor-related	0.0197	0.0545	0.0855
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.023	0.0674	0.0674
Loa Loa (eye worm)	integrin beta-2	0.2626	1	1
Onchocerca volvulus		0.023	0.0674	0.1425
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0473	0.0473
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0428	0.1442	0.1864
Onchocerca volvulus		0.0263	0.0801	0.1705
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0287	0.0896	0.1445
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.1231	0.4569	0.5983
Brugia malayi	Kelch motif family protein	0.0418	0.1405	0.1405
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0287	0.0896	0.0896
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0179	0.0473	0.0473
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.1231	0.4569	0.4569
Echinococcus multilocularis	glycine receptor subunit beta	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0473	0.0473
Echinococcus multilocularis	serotonin transporter	0.0179	0.0473	0.0587
Loa Loa (eye worm)	integrin alpha pat-2	0.1603	0.6019	0.6019
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0418	0.1405	0.1405
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0179	0.0473	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Echinococcus multilocularis	integrin alpha ps	0.0531	0.1846	0.2396
Loa Loa (eye worm)	norepinephrine transporter	0.0179	0.0473	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0026	0.0026
Echinococcus granulosus	neuropeptide receptor	0.0111	0.0208	0.024
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.023	0.0674	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0255	0.0769	0.0769
Schistosoma mansoni	calcium-activated potassium channel	0.065	0.2308	0.3816
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.023	0.0674	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0927	0.3384	0.3384
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Echinococcus multilocularis	expressed conserved protein	0.0183	0.0489	0.0609
Echinococcus granulosus	nAChR subunit	0.023	0.0674	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0877	0.3191	0.3191
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0197	0.0545	0.0683
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0428	0.1442	0.1442
Echinococcus multilocularis	glycine receptor subunit beta	0.0428	0.1442	0.1864
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0197	0.0545	0.0683
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0428	0.1442	0.1442
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.1231	0.4569	0.4569
Schistosoma mansoni	integrin alpha	0.1185	0.4392	0.7315
Onchocerca volvulus		0.0428	0.1442	0.3116
Brugia malayi	Cation transporter family protein	0.0428	0.1442	0.1442
Onchocerca volvulus		0.023	0.0674	0.1425
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Onchocerca volvulus		0.0877	0.3191	0.6966
Echinococcus granulosus	integrin alpha ps	0.0531	0.1846	0.2396
Entamoeba histolytica	hypothetical protein	0.023	0.0674	0.5
Brugia malayi	EGF-like domain containing protein	0.0064	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0877	0.3191	0.3191
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0428	0.1442	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Trichomonas vaginalis	teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative	0.0064	0.0026	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0179	0.0473	0.5
Toxoplasma gondii	hypothetical protein	0.0064	0.0026	0.5
Echinococcus granulosus	expressed conserved protein	0.0183	0.0489	0.0609
Giardia lamblia	Tenascin-X	0.0064	0.0026	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0197	0.0545	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0243	0.0723	0.0723
Schistosoma mansoni	calcium-activated potassium channel	0.0927	0.3384	0.5623
Schistosoma mansoni	neurotransmitter gated ion channel	0.023	0.0674	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Onchocerca volvulus		0.0197	0.0545	0.1141
Giardia lamblia	High cysteine protein	0.0064	0.0026	1
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.0623	0.0987
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0197	0.0545	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0197	0.0545	0.0545
Brugia malayi	EGF-like domain containing protein	0.0064	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.0035	0.0035
Brugia malayi	Integrin alpha pat-2 precursor	0.1185	0.4392	0.4392
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Onchocerca volvulus		0.0287	0.0896	0.1914
Brugia malayi	excitatory GABA receptor EXP-1A	0.0428	0.1442	0.1442
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0418	0.1405	0.1405
Loa Loa (eye worm)	hypothetical protein	0.0277	0.0854	0.0854
Schistosoma mansoni	nAChR subunit	0.0197	0.0545	0.0855
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0026	0.0026
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0217	0.0623	0.0623
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0428	0.1442	0.2362
Onchocerca volvulus		0.0428	0.1442	0.3116
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0428	0.1442	0.1442
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0197	0.0545	0.0545
Brugia malayi	map kinase activated protein kinase protein 2	0.0217	0.0623	0.0623
Trichomonas vaginalis	hypothetical protein	0.0064	0.0026	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0428	0.1442	0.1864
Schistosoma mansoni	neurotransmitter gated ion channel	0.0197	0.0545	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0931	0.34	0.34
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0428	0.1442	0.2362
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.023	0.0674	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0428	0.1442	0.1442
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0035	0.0035
Echinococcus granulosus	integrin alpha ps	0.0255	0.0769	0.0977
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.1231	0.4569	0.5983
Loa Loa (eye worm)	acetylcholine receptor protein	0.0197	0.0545	0.0545
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0155	0.0155
Brugia malayi	hypothetical protein	0.0418	0.1405	0.1405
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0428	0.1442	0.1442
Giardia lamblia	Tenascin-like	0.0064	0.0026	1
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0428	0.1442	0.1864
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.1231	0.4569	0.4569
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0155	0.0155
Brugia malayi	hypothetical protein	0.0197	0.0545	0.0545
Onchocerca volvulus	Putative nachr subunit	0.1231	0.4569	1
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.023	0.0674	0.0674
Schistosoma mansoni	sodium/chloride dependent transporter	0.0179	0.0473	0.0734
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0197	0.0545	0.0545
Brugia malayi	EGF-like domain containing protein	0.0064	0.0026	0.0026
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0197	0.0545	0.0545
Echinococcus granulosus	glycine receptor subunit beta	0.0428	0.1442	0.1864
Giardia lamblia	Tenascin-37	0.0064	0.0026	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0428	0.1442	0.1442
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0343	0.1111	0.1111
Giardia lamblia	Neurogenic locus notch-like protein	0.0064	0.0026	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.2396	0.2396
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.1231	0.4569	0.5983
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0287	0.0896	0.0896
Echinococcus multilocularis	small conductance calcium activated potassium	0.0927	0.3384	0.4422
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0428	0.1442	0.1864
Echinococcus multilocularis	integrin beta 2	0.2014	0.7619	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0428	0.1442	0.1864
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0428	0.1442	0.1442
Echinococcus multilocularis	G protein coupled receptor 139	0.0111	0.0208	0.024
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Brugia malayi	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0654	0.2323	0.2323
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Echinococcus multilocularis	nAChR subunit	0.023	0.0674	0.0853
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0292	0.0914	0.1476
Brugia malayi	hypothetical protein	0.0197	0.0545	0.0545
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0197	0.0545	0.0545
Loa Loa (eye worm)	GABA receptor subunit	0.023	0.0674	0.0674
Loa Loa (eye worm)	LGC-31 protein	0.0428	0.1442	0.1442
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0877	0.3191	0.5299
Loa Loa (eye worm)	hypothetical protein	0.0308	0.0974	0.0974
Onchocerca volvulus		0.0197	0.0545	0.1141
Schistosoma mansoni	nAChR subunit	0.0428	0.1442	0.2362
Brugia malayi	Cation transporter family protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Loa Loa (eye worm)	ACC-1 protein	0.0428	0.1442	0.1442
Echinococcus granulosus	glycine receptor subunit beta	0.0428	0.1442	0.1864
Loa Loa (eye worm)	hypothetical protein	0.023	0.0674	0.0674
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0428	0.1442	0.1864
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.1231	0.4569	0.5983
Onchocerca volvulus		0.0877	0.3191	0.6966
Onchocerca volvulus		0.0428	0.1442	0.3116
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Echinococcus granulosus	serotonin transporter	0.0179	0.0473	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0545	0.0545
Echinococcus multilocularis	neuropeptide receptor	0.0111	0.0208	0.024
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0673	0.2396	0.2396
Echinococcus multilocularis	nAChR subunit	0.0428	0.1442	0.1864
Giardia lamblia	High cysteine protein	0.0064	0.0026	1
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.1231	0.4569	0.5983
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.023	0.0674	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Echinococcus granulosus	integrin beta 2	0.2014	0.7619	1
Schistosoma mansoni	neurotransmitter gated ion channel	0.0197	0.0545	0.0855
Onchocerca volvulus		0.0877	0.3191	0.6966
Brugia malayi	Cation transporter family protein	0.0877	0.3191	0.3191
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0217	0.0623	0.0786
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0217	0.0623	0.0786
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0428	0.1442	0.1442
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0428	0.1442	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0473	0.0473
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0197	0.0545	0.0855
Brugia malayi	hypothetical protein	0.0197	0.0545	0.0545
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0197	0.0545	0.0545
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0428	0.1442	0.1442
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0179	0.0473	0.0473
Schistosoma mansoni	integrin beta subunit	0.1596	0.5991	1
Loa Loa (eye worm)	ACC-1 protein	0.0428	0.1442	0.1442

Activities

Activity type	Activity value	Assay description	Source	Reference
Cp (ADMET)	0	Drug concentration in plasma of rat LPS acute model of inflammation assessed as TNF alpha level after 2.5 hrs	ChEMBL.	17480064
Cp (ADMET)	= 5.8 ug ml-1	Drug concentration in plasma of rat LPS acute model of inflammation assessed as TNF alpha level after 3.5 hrs	ChEMBL.	17480064
IC50 (binding)	= 0.03 uM	Inhibition of MK2	ChEMBL.	17480064
IC50 (binding)	= 0.03 uM	Inhibition of MK2	ChEMBL.	17480064
IC50 (functional)	= 7.4 uM	Inhibition of TNFalpha production in U937 cells	ChEMBL.	17480064
IC50 (functional)	= 7.4 uM	Inhibition of TNFalpha production in U937 cells	ChEMBL.	17480064
Inhibition (functional)	= 55 %	Inhibition of TNFalpha production in rat acute model of inflammation at 20 mg/kg, po administered 1 hr prior to LPS challenge after 2.5 hrs relative to control	ChEMBL.	17480064
Inhibition (functional)	= 83 %	Inhibition of TNFalpha production in rat in rat acute model of inflammation at 20 mg/kg, po administered 2 hrs prior to LPS challenge after 3.5 hrs relative to control	ChEMBL.	17480064
Solubility	= 130 uM	Aqueous solubility of the compound	ChEMBL.	17480064

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17480064

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

ChEMBL: CHEMBL226472
PubChem: 16720095

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 423757