TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.83 | Formula: C19H18ClN5O5
H donors: 3 H acceptors: 5 LogP: 1.51 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OCCCOc1cc2OC/C=C\COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
InChi: 1S/C19H18ClN5O5/c20-12-8-13-16(9-15(12)28-7-3-4-26)29-5-1-2-6-30-18-14(10-21)22-11-17(24-18)25-19(27)23-13/h1-2,8-9,11,26H,3-7H2,(H2,23,24,25,27)/b2-1-
InChiKey: AWESKFLBKWCWAT-UPHRSURJSA-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	checkpoint kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454

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
Onchocerca volvulus		0.0016	0.0201	0.5
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0581	0.9568
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0605	0.269
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0036	0.0608	0.0919
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0605	0.269
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus granulosus	General substrate transporter	0.01	0.1916	0.851
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	0.5469
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.2251	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0016	0.0201	0.0201
Leishmania major	glucose transporter, lmgt3	0.0036	0.0605	0.8651
Leishmania major	glucose transporter, lmgt1	0.0036	0.0605	0.8651
Leishmania major	hypothetical protein, conserved	0.0016	0.0201	0.2874
Onchocerca volvulus		0.0016	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0398	0.0978
Trypanosoma cruzi	hexose transporter, putative	0.0016	0.0201	0.2874
Trichomonas vaginalis	glucose transporter, putative	0.0016	0.0201	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0016	0.0201	0.2874
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0201	0.5052
Trypanosoma brucei	glucose transporter 1E	0.0036	0.0605	0.8651
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0605	0.269
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Schistosoma mansoni	glucose transporter	0.0016	0.0201	0.0494
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0398	0.6849
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0036	0.0608	0.2699
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0036	0.0608	0.0608
Echinococcus granulosus	calcium dependent protein kinase	0.0033	0.0551	0.2448
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0116	0.2251	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus multilocularis	General substrate transporter	0.01	0.1916	0.851
Echinococcus granulosus	solute carrier family 22	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0492	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Schistosoma mansoni	glucose transport protein	0.0116	0.2251	0.5526
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0398	0.0978
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0581	0.1427
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0201	0.0494
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0012	0.0119	0.2978
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0204	0.4073	1
Giardia lamblia	Sugar-proton symporter	0.0016	0.0201	0.346
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0201	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Schistosoma mansoni	hypothetical protein	0.0116	0.2251	0.5526
Brugia malayi	Cam kinase protein 1	0.0036	0.0608	0.1492
Leishmania major	glucose transporter, lmgt2	0.0036	0.0605	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0016	0.0201	0.0494
Leishmania major	protein kinase, putative	0.0036	0.0608	0.8681
Schistosoma mansoni	serine/threonine protein kinase	0.0204	0.4073	1
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0036	0.0608	0.1492
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0036	0.0608	0.0919
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.002	0.027	0.386
Trichomonas vaginalis	myo-inositol transporter, putative	0.0016	0.0201	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Onchocerca volvulus		0.0016	0.0201	0.5
Echinococcus granulosus	solute carrier family 22	0.0016	0.0201	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0605	0.8651
Plasmodium vivax	hexose transporter	0.0116	0.2251	0.2251
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0201	0.5052
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.07	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0036	0.0608	0.0608
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0398	0.0398
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0605	0.269
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0398	0.5689
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0398	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0036	0.0608	0.1492
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0014	0.016	0.0392
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.07	1
Trypanosoma cruzi	glucose transporter, putative	0.0016	0.0201	0.2874
Toxoplasma gondii	sugar transporter ST2	0.0016	0.0201	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Brugia malayi	hypothetical protein	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0201	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0398	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0398	0.0398
Toxoplasma gondii	sugar transporter ST1	0.0016	0.0201	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0201	0.0494
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Onchocerca volvulus		0.0016	0.0201	0.5
Schistosoma mansoni	glucose transport protein	0.0116	0.2251	0.5526
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.07	1
Brugia malayi	Protein kinase domain containing protein	0.0204	0.4073	1
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0036	0.0608	0.0608
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0201	0.0894
Toxoplasma gondii	protein kinase, putative	0.0328	0.6616	1
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0036	0.0608	0.8681
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0036	0.0608	0.1492
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0201	0.5052
Trypanosoma brucei	sugar transporter, putative	0.0016	0.0201	0.2874
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0016	0.0201	0.2874
Onchocerca volvulus		0.0016	0.0201	0.5
Trypanosoma cruzi	hexose transporter	0.0036	0.0605	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Echinococcus multilocularis	calcium dependent protein kinase	0.0033	0.0551	0.2448
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0036	0.0608	0.0608
Onchocerca volvulus		0.0016	0.0201	0.5
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0581	0.1427
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0398	0.1769
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0333	0.1477
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0318	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0581	0.1427
Schistosoma mansoni	sugar transporter	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Schistosoma mansoni	protein kinase	0.0036	0.0608	0.1492
Brugia malayi	Sugar transporter family protein	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0605	0.269
Onchocerca volvulus	Putative transporter	0.0016	0.0201	0.5
Echinococcus granulosus	solute carrier family 22	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0581	0.1427
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0201	0.0894
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0581	0.1427
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0201	0.0894
Brugia malayi	major facilitator superfamily protein	0.0016	0.0201	0.0494
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0201	0.0494
Mycobacterium ulcerans	sugar transporter	0.0016	0.0201	0.5052
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Schistosoma mansoni	glucose transport protein	0.0116	0.2251	0.5526
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0605	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0605	0.269
Brugia malayi	hypothetical protein	0.0016	0.0201	0.0494
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0036	0.0608	0.0608
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0398	1
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0201	0.0894
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0398	0.6849
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0608	0.1492
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0201	0.0894
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0398	0.0978
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0119	1
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0398	0.5689
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.07	1
Schistosoma mansoni	sugar transporter	0.0016	0.0201	0.0494
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0201	0.0494
Onchocerca volvulus		0.0016	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0398	0.1769
Onchocerca volvulus		0.0016	0.0201	0.5
Trypanosoma cruzi	sugar transporter, putative	0.0016	0.0201	0.2874
Trypanosoma brucei	glucose transporter 2A	0.0036	0.0605	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0201	0.0494
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0605	0.8651
Schistosoma mansoni	sugar transporter	0.0016	0.0201	0.0494
Trichomonas vaginalis	CAMK family protein kinase	0.0036	0.0608	0.2699
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Giardia lamblia	Hexose transporter	0.0016	0.0201	0.346
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0447	0.1098
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Toxoplasma gondii	facilitative glucose transporter GT1	0.0116	0.2251	0.3402
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0398	0.0602
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0581	0.2583
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0398	0.1769
Chlamydia trachomatis	proline--tRNA ligase	0.0012	0.0119	0.2978
Onchocerca volvulus		0.0016	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0188	0.3731	0.564
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0036	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0581	0.1427
Toxoplasma gondii	sugar transporter ST3	0.0016	0.0201	0.0304
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0581	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0581	0.2583
Entamoeba histolytica	hypothetical protein	0.0026	0.0398	0.6553
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0036	0.0605	0.8651
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0581	0.2583
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.07	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.004	0.07	0.1058
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Onchocerca volvulus		0.0016	0.0201	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0605	0.8651
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0036	0.0608	0.0919
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0608	0.2699
Brugia malayi	major facilitator superfamily protein	0.0016	0.0201	0.0494
Schistosoma mansoni	protein kinase	0.0036	0.0608	0.1492
Loa Loa (eye worm)	sugar transporter	0.0116	0.2251	0.5526
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0581	1
Trichomonas vaginalis	sugar transport protein, putative	0.0016	0.0201	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0201	0.0894
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0201	1
Plasmodium falciparum	proline--tRNA ligase	0.004	0.07	0.07
Schistosoma mansoni	sugar transporter	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0605	0.269
Entamoeba histolytica	protein kinase, putative	0.0036	0.0608	1
Plasmodium falciparum	hexose transporter	0.0116	0.2251	0.2251
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0188	0.3731	0.3731
Plasmodium vivax	proline--tRNA ligase, putative	0.004	0.07	0.07
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0016	0.0201	0.6328
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Plasmodium falciparum	protein kinase 7	0.0328	0.6616	0.6616
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0188	0.3731	0.3731
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0036	0.0608	0.0608
Entamoeba histolytica	protein kinase, putative	0.0036	0.0608	1
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0036	0.0608	0.0608
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0605	0.8651
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0605	0.8651
Brugia malayi	Sugar transporter family protein	0.0116	0.2251	0.5526
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0605	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0201	0.0494
Plasmodium vivax	sugar transporter, putative	0.0016	0.0201	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0398	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0116	0.2251	1
Loa Loa (eye worm)	sugar transporter	0.0016	0.0201	0.0494
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0398	0.5689
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0036	0.0608	0.0608
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0201	0.0894
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0016	0.0201	0.6328
Schistosoma mansoni	protein kinase	0.0036	0.0608	0.1492
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0608	0.1492
Toxoplasma gondii	transporter, major facilitator family protein	0.0016	0.0201	0.0304
Brugia malayi	Sugar transporter family protein	0.0016	0.0201	0.0494

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Cell cycle arrest in H1299 cells by accumulation at G2/M phase by FACS assay	ChEMBL.	17935989
Activity (functional)	0	Inhibition of doxorubicin-induced cell cycle arrest in H1299 cells at G2/M phase by FACS assay	ChEMBL.	17935989
EC50 (functional)	> 59.3 uM	Cytotoxicity against HeLa cells by MTS assay	ChEMBL.	17935989
EC50 (functional)	> 59.3 uM	Cytotoxicity against HeLa cells by MTS assay	ChEMBL.	17935989
IC50 (binding)	= 2 nM	Inhibition of Chk1	ChEMBL.	17935989
IC50 (binding)	= 2 nM	Inhibition of Chk1	ChEMBL.	17935989

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: CHEMBL398757

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 501115