TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 377.435 | Formula: C21H16FN3OS
H donors: 2 H acceptors: 2 LogP: 4.77 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccccc1F
InChi: 1S/C21H16FN3OS/c1-11-10-23-19-18-13-6-7-15(12-4-2-3-5-14(12)22)25-16(13)8-9-17(18)27-20(19)21(26)24-11/h2-9,11,23H,10H2,1H3,(H,24,26)/t11-/m1/s1
InChiKey: TXYQKEJLINYOCR-LLVKDONJSA-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	mitogen-activated protein kinase-activated protein kinase 2	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	protein kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	cell division control protein 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	MAP kinase activated protein kinase 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 japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium knowlesi	Cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium berghei	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Trypanosoma congolense	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712

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	cyclin-dependent kinase 3	305 aa	303 aa	32.0 %
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
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.0323	0.5
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0059	0.0038
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0059	0.0311
Schistosoma mansoni	lipoxygenase	0.0099	0.1052	0.1009
Entamoeba histolytica	hypothetical protein	0.004	0.0119	0.2264
Brugia malayi	hypothetical protein	0.0038	0.0097	0.0164
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0168	0.2132	0.2095
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0457	0.135
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0323	0.0277
Onchocerca volvulus		0.0046	0.0223	0.0574
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0053	0.0323	0.7371
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0421	1
Echinococcus multilocularis	RUN	0.0038	0.0097	0.005
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0323	0.0277
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0047	0.0157
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0457	0.0411
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0097	0.005
Schistosoma mansoni	polycystin 1-related	0.0038	0.0097	0.005
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0059	0.0012
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0059	0.0012
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0457	0.0411
Echinococcus multilocularis	geminin	0.0342	0.4865	0.484
Loa Loa (eye worm)	hypothetical protein	0.0228	0.308	1
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0223	0.0176
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.0323	0.0277
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0097	0.005
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0047	0.0157
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.131	0.4164
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1353	0.4306
Entamoeba histolytica	hypothetical protein	0.004	0.0119	0.2264
Echinococcus multilocularis	cyclin dependent kinase 5	0.0053	0.0323	0.0277
Onchocerca volvulus		0.0038	0.0097	0.0162
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.0323	1
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0053	0.0323	0.7371
Plasmodium vivax	multidomain scavenger receptor, putative	0.0038	0.0097	0.1802
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.0323	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0119	0.0072
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0053	0.0323	0.0277
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0228	0.0181
Echinococcus granulosus	geminin	0.0342	0.4865	0.484
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0323	0.0277
Plasmodium vivax	protein kinase Crk2	0.0053	0.0323	1
Onchocerca volvulus		0.0047	0.0228	0.059
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0047	0.0157
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3014	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0228	0.0181
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0218	0.2916	0.2883
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0457	0.0411
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0323	0.0902
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0421	0.0375
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0097	0.005
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0218	0.2916	0.9461
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0097	0.005
Onchocerca volvulus	Huntingtin homolog	0.0118	0.1353	0.4275
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0323	0.0277
Schistosoma mansoni	lipoxygenase	0.0168	0.2132	0.2095
Schistosoma mansoni	rab6-interacting	0.0038	0.0097	0.005
Brugia malayi	mbt repeat family protein	0.0046	0.0223	0.0579
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0223	0.0176
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.0323	0.0908
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.308	0.3047
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0053	0.0323	0.0908
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0059	0.0038
Echinococcus multilocularis	microtubule associated protein 2	0.067	1	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0168	0.2132	0.2095
Brugia malayi	MH2 domain containing protein	0.0116	0.131	0.4164
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0047	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0164
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.0323	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.131	0.4164
Brugia malayi	Pre-SET motif family protein	0.0202	0.2664	0.863
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1353	0.4306
Giardia lamblia	Kinase, CMGC CDK	0.0053	0.0323	0.5
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0059	0.0012
Brugia malayi	Doublecortin family protein	0.0038	0.0097	0.0164
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0223	0.0176
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0059	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0223	0.0579
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0457	0.0411
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Plasmodium falciparum	protein kinase 5	0.0053	0.0323	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0457	0.0411
Brugia malayi	Inositol-1	0.0036	0.0059	0.0038
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0223	0.0176
Brugia malayi	hypothetical protein	0.004	0.0119	0.0235
Brugia malayi	Protein kinase domain containing protein	0.0053	0.0323	0.0908
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0323	0.0277
Echinococcus granulosus	cyclin dependent kinase 1	0.0053	0.0323	0.0277
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0223	0.0176
Trypanosoma brucei	cdc2-related kinase 1	0.0053	0.0323	1
Onchocerca volvulus	Huntingtin homolog	0.0118	0.1353	0.4275
Echinococcus multilocularis	Polycystic kidney disease protein	0.0038	0.0097	0.005
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0059	0.0038
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0119	0.0072
Trypanosoma cruzi	cdc2-related kinase 3	0.0053	0.0323	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0047	0.0157
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2664	0.863
Echinococcus granulosus	cyclin dependent kinase 5	0.0053	0.0323	0.0277
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0457	0.0411
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0047	0.0157
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0047	0.0157
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0187	0.2423	0.2387
Brugia malayi	hypothetical protein	0.0038	0.0097	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0323	0.091
Trypanosoma brucei	cdc2-related kinase 3	0.0053	0.0323	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0228	0.0594
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0047	0.0157
Brugia malayi	RNA binding protein	0.0061	0.0457	0.135
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0323	0.0277
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0421	0.0375
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0047	0.0157
Echinococcus multilocularis	cyclin dependent kinase 1	0.0053	0.0323	0.0277
Loa Loa (eye worm)	MBCTL1	0.0053	0.0323	0.091
Loa Loa (eye worm)	doublecortin family protein	0.0038	0.0097	0.0164
Onchocerca volvulus		0.0038	0.0097	0.0162
Schistosoma mansoni	hypothetical protein	0.0342	0.4865	0.484
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0457	0.135
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0059	0.0311
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0421	0.0375
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0223	0.0574
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0223	0.0579
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0223	0.0176
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0421	0.1396
Trypanosoma cruzi	cdc2-related kinase 1	0.0053	0.0323	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0038	0.0097	0.005
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0305	0.0851
Entamoeba histolytica	cell division protein kinase 2, putative	0.0053	0.0323	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0421	0.0375
Onchocerca volvulus		0.023	0.3102	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0059	0.0421
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0119	0.0072
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0047	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0164
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0053	0.0323	0.0908
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0059	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0223	0.0176
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0457	0.135
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0323	0.0902
Brugia malayi	map kinase activated protein kinase protein 2	0.0218	0.2916	0.9461
Brugia malayi	mbt repeat family protein	0.0046	0.0223	0.0579
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0218	0.2916	0.2883
Echinococcus multilocularis	cyclin dependent kinase	0.0053	0.0323	0.0277
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0457	0.135
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3102	1
Loa Loa (eye worm)	inositol-1	0.0036	0.0059	0.0038
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0323	0.0902
Echinococcus granulosus	cyclin dependent kinase	0.0053	0.0323	0.0277
Schistosoma mansoni	rab6-interacting	0.0038	0.0097	0.005
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0059	0.0421
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0187	0.2423	0.2387
Schistosoma mansoni	hypothetical protein	0.0342	0.4865	0.484
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0323	0.0277
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0059	0.0311
Schistosoma mansoni	loxhd1	0.0038	0.0097	0.005
Schistosoma mansoni	hypothetical protein	0.0038	0.0097	0.005
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0323	0.091
Entamoeba histolytica	hypothetical protein	0.004	0.0119	0.2264
Schistosoma mansoni	hypothetical protein	0.004	0.0119	0.0072
Brugia malayi	hypothetical protein	0.0228	0.308	1
Entamoeba histolytica	hypothetical protein	0.004	0.0119	0.2264
Schistosoma mansoni	microtubule-associated protein tau	0.067	1	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0047	1
Echinococcus granulosus	RUN	0.0038	0.0097	0.005
Brugia malayi	hypothetical protein	0.0118	0.1353	0.4306
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.308	0.3047
Schistosoma mansoni	hypothetical protein	0.0286	0.3976	0.3947
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0059	0.0012
Brugia malayi	cell division control protein 2 homolog	0.0053	0.0323	0.0908
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0421	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0053	0.0323	0.7371
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0457	0.0411
Brugia malayi	TAR-binding protein	0.0061	0.0457	0.135
Schistosoma mansoni	serine/threonine protein kinase	0.0218	0.2916	0.2883
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0047	0.0157

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.014 uM	Inhibition of MK2	ChEMBL.	19616942
IC50 (binding)	= 0.93 uM	Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production	ChEMBL.	19616942
IC50 (binding)	= 10.9 uM	Inhibition of CDK2	ChEMBL.	19616942

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: CHEMBL554286

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1046989