TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 302.395 | Formula: C15H18N4OS
H donors: 2 H acceptors: 0 LogP: 2.52 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COCC(NC1=NN=C(CS1)c1c[nH]c2c1cccc2)C
InChi: 1S/C15H18N4OS/c1-10(8-20-2)17-15-19-18-14(9-21-15)12-7-16-13-6-4-3-5-11(12)13/h3-7,10,16H,8-9H2,1-2H3,(H,17,19)
InChiKey: PPMUCCOJGIQBCN-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129301	All targets in OG5_129301
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_129301	All targets in OG5_129301
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus granulosus	L aminoadipate semialdehyde	Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus multilocularis	L aminoadipate semialdehyde	Get druggable targets OG5_129301	All targets in OG5_129301
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Cryptosporidium hominis	proteinx0005	Get druggable targets OG5_129301	All targets in OG5_129301
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	Get druggable targets OG5_129301	All targets in OG5_129301
Cryptosporidium parvum	phosphopantetheinyl transferase	Get druggable targets OG5_129301	All targets in OG5_129301
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative	Get druggable targets OG5_129301	All targets in OG5_129301
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	Get druggable targets OG5_129301	All targets in OG5_129301
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	aminoadipate-semialdehyde dehydrogenase small subunit	4'-phosphopantetheinyl transferase ffp	224 aa	183 aa	27.3 %
Onchocerca volvulus		4'-phosphopantetheinyl transferase ffp	224 aa	186 aa	26.3 %
Entamoeba histolytica	hypothetical protein	4'-phosphopantetheinyl transferase ffp	224 aa	198 aa	28.3 %
Candida albicans	aminoadipate-semialdehyde dehydrogenase small subunit	4'-phosphopantetheinyl transferase ffp	224 aa	183 aa	27.3 %
Trichomonas vaginalis	conserved hypothetical protein	4'-phosphopantetheinyl transferase ffp	224 aa	197 aa	22.3 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0043	0.0399	0.0955
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Echinococcus granulosus	lamin dm0	0.0033	0.0261	0.0261
Schistosoma mansoni	casein kinase II beta subunit	0.0146	0.1697	0.1697
Brugia malayi	Csnk2b protein	0.0146	0.1697	0.1697
Schistosoma mansoni	protein kinase	0.0013	0.002	0.002
Brugia malayi	hypothetical protein	0.0041	0.0365	0.0365
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0188	0.223	0.223
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0146	0.1697	0.4065
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0013	0.002	0.002
Entamoeba histolytica	protein kinase domain containing protein	0.0013	0.002	0.0047
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Schistosoma mansoni	hypothetical protein	0.0043	0.0399	0.0399
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.01	0.1118	0.1118
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0028	0.0207	0.0495
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0043	0.039	0.0933
Plasmodium vivax	unspecified product	0.0342	0.4176	1
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0261	0.0261
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0803	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Brugia malayi	Fibronectin type III domain containing protein	0.0041	0.0365	0.0365
Toxoplasma gondii	CMGC kinase, CK2 family	0.0342	0.4176	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0188	0.223	0.223
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0342	0.4176	0.4176
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Entamoeba histolytica	hypothetical protein	0.0028	0.0207	0.0495
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0146	0.1697	0.4065
Echinococcus multilocularis	musashi	0.0033	0.0261	0.0261
Brugia malayi	Protein kinase domain containing protein	0.0407	0.4994	0.4994
Giardia lamblia	Casein kinase II beta chain	0.0146	0.1697	0.3399
Echinococcus granulosus	casein kinase ii subunit alpha	0.0342	0.4176	0.4176
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0146	0.1697	0.4065
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0146	0.1697	0.1697
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0803	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Schistosoma mansoni	nephrin	0.0043	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0048	0.0048
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0261	0.0261
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0013	0.0019	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0041	0.0041
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0207	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0399	0.0955
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.002	0.0047
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Echinococcus multilocularis	casein kinase ii subunit beta	0.0146	0.1697	0.1697
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0254	0.0254
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0028	0.0207	0.5
Entamoeba histolytica	protein kinase, putative	0.0013	0.0019	0.0046
Schistosoma mansoni	protein kinase	0.0013	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0403	0.0403
Entamoeba histolytica	casein kinase, putative	0.0342	0.4176	1
Trichomonas vaginalis	CMGC family protein kinase	0.0407	0.4994	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0028	0.0207	1
Trichomonas vaginalis	CMGC family protein kinase	0.0407	0.4994	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0434	0.0434
Schistosoma mansoni	lamin	0.0033	0.0261	0.0261
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0342	0.4176	1
Plasmodium vivax	casein kinase II beta chain, putative	0.0146	0.1697	0.4065
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Entamoeba histolytica	protein kinase domain containing protein	0.0342	0.4176	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0028	0.0207	0.0495
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.01	0.1118	0.1118
Echinococcus granulosus	intermediate filament protein	0.0033	0.0261	0.0261
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Onchocerca volvulus	Tyrosine kinase homolog	0.0147	0.1707	0.1707
Schistosoma mansoni	serine/threonine protein kinase	0.0803	1	1
Echinococcus granulosus	roundabout 2	0.0046	0.0434	0.0434
Trypanosoma cruzi	casein kinase II, putative	0.0342	0.4176	1
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Onchocerca volvulus		0.01	0.1118	0.1118
Loa Loa (eye worm)	Csnk2b protein	0.0146	0.1697	0.1697
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0803	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0043	0.039	0.078
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Echinococcus granulosus	activin receptor type	0.0013	0.002	0.002
Giardia lamblia	Kinase, CDC7	0.0407	0.4994	1
Brugia malayi	casein kinase II, putaitve	0.0043	0.039	0.039
Schistosoma mansoni	vesicular amine transporter	0.0041	0.0365	0.0365
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0399	0.0399
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0028	0.0207	1
Schistosoma mansoni	serine/threonine protein kinase	0.0407	0.4994	0.4994
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0803	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0207	0.0495
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0563	0.6963	0.6963
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0803	1	1
Brugia malayi	intermediate filament protein	0.0033	0.0261	0.0261
Entamoeba histolytica	hypothetical protein	0.0043	0.0399	0.0955
Echinococcus granulosus	twitchin	0.0051	0.05	0.05
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0044	0.0403	0.0403
Onchocerca volvulus		0.0407	0.4994	0.4994
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0019	0.0084	0.0084
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0013	0.002	0.002
Onchocerca volvulus		0.0139	0.1612	0.1612
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Trypanosoma brucei	Casein kinase II	0.0342	0.4176	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0043	0.039	0.0933
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Giardia lamblia	Casein kinase II beta chain	0.0043	0.039	0.078
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0407	0.4994	0.4994
Brugia malayi	hypothetical protein	0.0043	0.0399	0.0399
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0146	0.1697	0.4065
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0041	0.0041
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.007	0.007
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0261	0.0261
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0013	0.002	0.0047
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0041	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0048	0.0048
Echinococcus multilocularis	neuroglian	0.0043	0.0395	0.0395
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0342	0.4176	0.4176
Loa Loa (eye worm)	casein kinase II	0.0043	0.039	0.039
Echinococcus multilocularis	Immunoglobulin	0.0041	0.0365	0.0365
Echinococcus multilocularis	lamin	0.0033	0.0261	0.0261
Plasmodium vivax	casein kinase II beta chain, putative	0.0146	0.1697	0.4065
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0028	0.0207	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0261	0.0261
Giardia lamblia	Kinase, CMGC CK2	0.0342	0.4176	0.8363
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Echinococcus multilocularis	L aminoadipate semialdehyde	0.01	0.1118	0.1118
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0014	0.0024	0.0024
Trypanosoma brucei	protein kinase, putative	0.0013	0.002	0.0047
Entamoeba histolytica	hypothetical protein	0.0043	0.0399	0.0955
Schistosoma mansoni	lamin	0.0033	0.0261	0.0261
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0399	0.0399
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0041	0.0365	0.0365
Echinococcus granulosus	CDC7 cell division cycle 7	0.0407	0.4994	0.4994
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Trichomonas vaginalis	CMGC family protein kinase	0.0407	0.4994	1
Echinococcus granulosus	Immunoglobulin	0.0041	0.0365	0.0365
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.007	0.007
Echinococcus multilocularis	activin receptor type	0.0013	0.002	0.002
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0342	0.4176	1
Schistosoma mansoni	cell adhesion molecule	0.0044	0.0403	0.0403
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0207	0.0495
Loa Loa (eye worm)	hypothetical protein	0.01	0.1118	0.1118
Echinococcus granulosus	neuroglian	0.0043	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Onchocerca volvulus		0.0033	0.0261	0.0261
Trichomonas vaginalis	CMGC family protein kinase	0.0342	0.4176	0.8363
Echinococcus granulosus	L aminoadipate semialdehyde	0.01	0.1118	0.1118
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0146	0.1697	0.4036
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.002	0.0047
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0146	0.1697	0.4065
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0803	1	1
Onchocerca volvulus		0.0407	0.4994	0.4994
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0146	0.1697	0.1697
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0048	0.0048
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0261	0.0261
Echinococcus multilocularis	roundabout 2	0.0046	0.0434	0.0434
Leishmania major	phosphopantetheinyl transferase-like protein	0.0028	0.0207	0.0449
Onchocerca volvulus		0.0033	0.0261	0.0261
Plasmodium falciparum	casein kinase II beta chain	0.0146	0.1697	0.4065
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Brugia malayi	Casein kinase II, alpha chain	0.0342	0.4176	0.4176
Toxoplasma gondii	ck2 beta subunit	0.0146	0.1697	0.4065
Schistosoma mansoni	protein kinase	0.0013	0.002	0.002
Echinococcus multilocularis	Immunoglobulin	0.0041	0.0365	0.0365
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0041	0.0365	0.0365
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0041	0.0365	0.0365
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0146	0.1697	0.4065
Plasmodium falciparum	casein kinase II beta chain	0.0146	0.1697	0.4065
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0043	0.039	0.078
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0365	0.0365
Plasmodium falciparum	protein kinase, putative	0.0013	0.002	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0434	0.0434
Leishmania major	casein kinase II, putative	0.0342	0.4176	1
Echinococcus granulosus	lamin	0.0033	0.0261	0.0261
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0207	0.0495
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0399	0.0399
Echinococcus granulosus	casein kinase ii subunit beta	0.0146	0.1697	0.1697
Echinococcus granulosus	defective proboscis extension response	0.0041	0.0365	0.0365
Loa Loa (eye worm)	CDC7 protein kinase	0.0407	0.4994	0.4994
Schistosoma mansoni	protein kinase	0.0342	0.4176	0.4176
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0028	0.0207	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0013	0.002	0.0047
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0043	0.039	0.078
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0146	0.1697	0.3399
Echinococcus multilocularis	lamin dm0	0.0033	0.0261	0.0261
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0146	0.1697	0.4065
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0028	0.0207	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0045 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.9093 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	35.4813 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1547170

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1413127