TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 439.317 | Formula: C21H12Cl2N4OS
H donors: 2 H acceptors: 3 LogP: 6.55 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(N)nc2c(c1c1ccccc1Cl)c(N)c(s2)C(=O)c1cccc(c1)Cl
InChi: 1S/C21H12Cl2N4OS/c22-11-5-3-4-10(8-11)18(28)19-17(25)16-15(12-6-1-2-7-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27)
InChiKey: BXLXOBIMRFZEAE-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
Dictyostelium discoideum	GSK family protein kinase	Starlite/ChEMBL	References
Homo sapiens	glycogen synthase kinase 3 beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0163759	0.00864158	0.0184004
Brugia malayi	gamma-secretase subunit aph-1	0.0699902	0.251891	0.53635
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0163759	0.00864158	0.0242097
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0412143	0.121334	0.481692
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0412143	0.121334	0.481692
Brugia malayi	ecdysone receptor	0.0163759	0.00864158	0.0184004
Schistosoma mansoni	nuclear receptor nhr-48	0.0163759	0.00864158	0.0343068
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0412143	0.121334	0.258356
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0412143	0.121334	0.339922
Brugia malayi	Nuclear hormone receptor-like 1	0.0248384	0.0470358	0.100153
Brugia malayi	orphan nuclear receptor NR2E1	0.0163759	0.00864158	0.0184004
Schistosoma mansoni	nuclear hormone receptor	0.0163759	0.00864158	0.0343068
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0248384	0.0470358	0.186731
Schistosoma mansoni	RAR-like nuclear receptor	0.0412143	0.121334	0.481692
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.02759	0.05952	0.126735
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0412143	0.121334	0.481692
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0163759	0.00864158	0.0343068
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0412143	0.121334	0.481692
Brugia malayi	gamma-secretase subunit pen-2	0.02759	0.05952	0.126735
Echinococcus granulosus	nuclear receptor nhr 48	0.0163759	0.00864158	0.0242097
Brugia malayi	nuclear hormone receptor family member odr-7	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0412143	0.121334	0.258356
Brugia malayi	Nuclear hormone receptor-like 1	0.0412143	0.121334	0.258356
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0297216	0.0691914	1
Brugia malayi	hypothetical protein	0.0248384	0.0470358	0.100153
Brugia malayi	nuclear receptor NHR-88	0.0412143	0.121334	0.258356
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0517963	0.169345	0.474426
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0248384	0.0470358	0.100153
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0412143	0.121334	0.258356
Echinococcus granulosus	FTZ F1 alpha	0.0412143	0.121334	0.339922
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0412143	0.121334	0.481692
Brugia malayi	nuclear receptor NHR-67	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0412143	0.121334	0.258356
Brugia malayi	conserved hypotetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	hypothetical protein	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0163759	0.00864158	0.0184004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0412143	0.121334	0.481692
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0699902	0.251891	1
Mycobacterium ulcerans	short chain dehydrogenase	0.23488	1	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0412143	0.121334	0.258356
Schistosoma mansoni	thyroid hormone receptor	0.0412143	0.121334	0.481692
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0412143	0.121334	0.481692
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0297216	0.0691914	1
Schistosoma mansoni	nuclear receptor	0.0163759	0.00864158	0.0343068
Echinococcus multilocularis	ecdysone induced protein 78C	0.0412143	0.121334	0.481692
Echinococcus granulosus	presenilin enhancer 2	0.02759	0.05952	0.166747
Loa Loa (eye worm)	hypothetical protein	0.0248384	0.0470358	0.100153
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0163759	0.00864158	0.0343068
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0248384	0.0470358	0.131773
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0297216	0.0691914	1
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0163759	0.00864158	0.0343068
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor-like 1	0.0248384	0.0470358	0.100153
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0163759	0.00864158	0.0343068
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0297216	0.0691914	0.274687
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0163759	0.00864158	0.0242097
Loa Loa (eye worm)	DR-78	0.0163759	0.00864158	0.0184004
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0297216	0.0691914	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0412143	0.121334	0.481692
Schistosoma mansoni	nuclear hormone receptor	0.0412143	0.121334	0.481692
Echinococcus multilocularis	presenilin	0.0297216	0.0691914	0.274687
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0412143	0.121334	0.481692
Onchocerca volvulus	Bile acid receptor homolog	0.0948381	0.364627	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0412143	0.121334	0.339922
Echinococcus granulosus	gamma secretase subunit aph 1	0.0699902	0.251891	0.705682
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	steroid hormone receptor	0.117984	0.46964	1
Schistosoma mansoni	coup transcription factor	0.0412143	0.121334	0.481692
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0412143	0.121334	0.339922
Brugia malayi	Nuclear hormone receptor E75	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0412143	0.121334	0.258356
Echinococcus granulosus	presenilin	0.0297216	0.0691914	0.193842
Echinococcus multilocularis	FTZ F1 alpha	0.0412143	0.121334	0.481692
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0412143	0.121334	0.481692
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	nuclear receptor NHR-88	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	hypothetical protein	0.0248384	0.0470358	0.100153
Brugia malayi	tailless protein	0.0163759	0.00864158	0.0184004
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0297216	0.0691914	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0412143	0.121334	0.258356
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0412143	0.121334	0.339922
Schistosoma mansoni	nuclear hormone receptor	0.0163759	0.00864158	0.0343068
Echinococcus multilocularis	presenilin enhancer 2	0.02759	0.05952	0.236292
Brugia malayi	Presenilin family protein	0.0297216	0.0691914	0.147329
Loa Loa (eye worm)	hypothetical protein	0.0248384	0.0470358	0.100153
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0412143	0.121334	0.258356
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Echinococcus granulosus	thyroid hormone receptor alpha	0.0931454	0.356947	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0412143	0.121334	0.481692
Brugia malayi	Nuclear hormone receptor E75	0.0163759	0.00864158	0.0184004
Schistosoma mansoni	nuclear receptor	0.0163759	0.00864158	0.0343068
Schistosoma mansoni	retinoic acid receptor RXR	0.0517963	0.169345	0.672294
Brugia malayi	hypothetical protein	0.0248384	0.0470358	0.100153
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Brugia malayi	ecdysteroid receptor	0.0948381	0.364627	0.776397
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0163759	0.00864158	0.0343068
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Mycobacterium tuberculosis	Probable oxidoreductase	0.23488	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0163759	0.00864158	0.0343068
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0163759	0.00864158	0.0184004
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0412143	0.121334	0.481692
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0412143	0.121334	0.258356
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0163759	0.00864158	0.0242097
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0412143	0.121334	0.258356
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0297216	0.0691914	1
Brugia malayi	nuclear receptor RXR	0.0248384	0.0470358	0.100153
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0699902	0.251891	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0412143	0.121334	0.258356
Brugia malayi	hypothetical protein	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0412143	0.121334	0.258356
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0248384	0.0470358	0.186731
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Loa Loa (eye worm)	nuclear hormone receptor	0.0163759	0.00864158	0.0184004
Echinococcus granulosus	ecdysone induced protein 78C	0.0412143	0.121334	0.339922
Loa Loa (eye worm)	hypothetical protein	0.0948381	0.364627	0.776397
Brugia malayi	photoreceptor-specific nuclear receptor	0.0412143	0.121334	0.258356
Loa Loa (eye worm)	hypothetical protein	0.0163759	0.00864158	0.0184004
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0297216	0.0691914	1
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0163759	0.00864158	0.0242097
Schistosoma mansoni	thyroid hormone receptor	0.0412143	0.121334	0.481692
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0412143	0.121334	0.316565
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0248384	0.0470358	0.100153
Loa Loa (eye worm)	hypothetical protein	0.0412143	0.121334	0.258356
Brugia malayi	nuclear hormone receptor	0.0412143	0.121334	0.258356
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0412143	0.121334	0.339922
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0412143	0.121334	0.481692
Brugia malayi	steroid hormone receptor	0.117984	0.46964	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0248384	0.0470358	0.186731
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0297216	0.0691914	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0163759	0.00864158	0.0343068
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0412143	0.121334	0.339922
Brugia malayi	nuclear receptor RXR	0.0163759	0.00864158	0.0184004
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0412143	0.121334	0.481692
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0699902	0.251891	0.53635
Loa Loa (eye worm)	hypothetical protein	0.0248384	0.0470358	0.100153
Onchocerca volvulus	Protein ultraspiracle homolog	0.0412143	0.121334	0.316565
Onchocerca volvulus		0.0412143	0.121334	0.316565
Brugia malayi	Steroid receptor seven-up type 2	0.0412143	0.121334	0.258356
Schistosoma mansoni	zinc finger protein	0.0163759	0.00864158	0.0343068
Brugia malayi	nuclear hormone receptor	0.0163759	0.00864158	0.0184004
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0412143	0.121334	0.258356
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0412143	0.121334	0.258356
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.026958	0.0566526	0.224909

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 5.5 uM	Antiplasmodial activity against Plasmodium falciparum after 72 hrs by luciferase reporter gene assay	ChEMBL.	23214499
IC50 (binding)	= 3.3 uM	Inhibition of human Nt-GST-tagged GSK-3beta	ChEMBL.	23214499
IC50 (binding)	> 10 uM	Inhibition of Dictyostelium discoideum GSK-3	ChEMBL.	23214499
IC50 (binding)	> 100 uM	Inhibition of human Nt-GST-tagged GSK-3alpha	ChEMBL.	23214499
IC50 (binding)	> 100 uM	Inhibition of Leishmania major GSK-3	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of PAK4 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of P38beta MAPK (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of P38alpha MAPK (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of MKK1 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of MAPKAP-K2 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of IR-HIS (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of IKK-epsilon (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of ERK8 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of CHK2 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of CAMK1 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of BTK (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 50 %	Inhibition of BRSK2 (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (binding)	> 80 %	Inhibition of PKB alpha (unknown origin) at 10 uM	ChEMBL.	23214499
Inhibition (functional)	= 100 %	Antiplasmodial activity against Plasmodium falciparum at 15 uM after 72 hrs by luciferase reporter gene assay	ChEMBL.	23214499

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	23214499

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: CHEMBL2313853

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1739614