TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 604.726 | Formula: C29H36N10O3S
H donors: 4 H acceptors: 5 LogP: 2.04 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1ccc(cc1)Sc1nc(Nc2n[nH]c(c2)C)c2n(n1)ccc2)CN1CC[C@H](C1)C(=O)NCCN1CCOCC1
InChi: 1S/C29H36N10O3S/c1-20-17-25(35-34-20)32-27-24-3-2-10-39(24)36-29(33-27)43-23-6-4-22(5-7-23)31-26(40)19-38-11-8-21(18-38)28(41)30-9-12-37-13-15-42-16-14-37/h2-7,10,17,21H,8-9,11-16,18-19H2,1H3,(H,30,41)(H,31,40)(H2,32,33,34,35,36)/t21-/m1/s1
InChiKey: UVNLAMSMBMXIJB-OAQYLSRUSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aurora kinase B	Starlite/ChEMBL	References
Homo sapiens	aurora kinase A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024

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	aurora kinase B	303 aa	299 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0088	0.11	0.1128
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0018
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0145	0.0149
Mycobacterium tuberculosis	Conserved protein	0.004	0.043	0.0902
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0145	0.0407
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0145	0.0407
Entamoeba histolytica	protein kinase , putative	0.0136	0.1772	1
Brugia malayi	beta-lactamase family protein	0.004	0.043	0.049
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0136	0.1772	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0256	0.3447	1
Trichomonas vaginalis	AGC family protein kinase	0.0136	0.1772	0.1663
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.043	0.0902
Brugia malayi	hypothetical protein	0.0075	0.0923	0.1052
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Mycobacterium ulcerans	lipase LipD	0.004	0.043	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0145	0.0166
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0131	0.047
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.024	0.0664
Echinococcus granulosus	flap endonuclease 1	0.0026	0.024	0.0246
Plasmodium vivax	hypothetical protein, conserved	0.004	0.043	0.124
Trypanosoma brucei	unspecified product	0.0019	0.0131	0.047
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049
Echinococcus multilocularis	tumor protein p63	0.0708	0.9753	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.043	0.049
Echinococcus granulosus	histone lysine methyltransferase setb	0.0091	0.1147	0.1176
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.043	0.0902
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0131	0.047
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.043	0.049
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0145	0.0166
Trichomonas vaginalis	set domain proteins, putative	0.0726	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0145	0.0149
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.043	0.0303
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0131	0.047
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0136	0.1772	0.1817
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.024	0.0246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Brugia malayi	nuclear receptor RXR	0.001	0.0016	0.0018
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0145	0.0149
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0018
Echinococcus granulosus	tumor protein p63	0.0708	0.9753	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0923	0.4822
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.043	0.0441
Brugia malayi	ecdysteroid receptor	0.002	0.0145	0.0166
Onchocerca volvulus		0.004	0.043	0.043
Echinococcus granulosus	aurora kinase A	0.0136	0.1772	0.1817
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0145	0.0166
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.043	0.1822
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0145	0.0149
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0145	0.0149
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0245	0.3296	0.338
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.043	0.1204
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0145	0.0407
Trichomonas vaginalis	AGC family protein kinase	0.0136	0.1772	0.1663
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0145	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0145	0.0166
Schistosoma mansoni	protein kinase	0.0136	0.1772	0.4963
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0136	0.1772	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0145	0.0407
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0131	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1147	0.1308
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0145	0.0145
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0145	0.0166
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Brugia malayi	nuclear hormone receptor	0.002	0.0145	0.0166
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0245	0.3296	0.338
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0131	0.0367
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.001	0.0016	0.0016
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0738	0.2066
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0145	0.0407
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0131	0.0149
Brugia malayi	serine/threonine protein kinase 6	0.0136	0.1772	0.2021
Loa Loa (eye worm)	AUR protein kinase	0.0136	0.1772	0.2021
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0738	0.2066
Onchocerca volvulus		0.004	0.043	0.043
Entamoeba histolytica	hypothetical protein	0.0075	0.0923	0.4822
Onchocerca volvulus		0.0091	0.1147	0.1147
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.043	0.0902
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0145	0.0166
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0145	0.0166
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0738	0.0841
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.043	0.1204
Trichomonas vaginalis	esterase, putative	0.004	0.043	0.0303
Brugia malayi	RNA binding protein	0.0062	0.0738	0.0841
Entamoeba histolytica	hypothetical protein	0.0075	0.0923	0.4822
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0738	0.0841
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Entamoeba histolytica	protein kinase domain containing protein	0.0136	0.1772	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0145	0.0149
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0145	0.0149
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.024	0.0664
Brugia malayi	hypothetical protein	0.001	0.0016	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0145	0.0166
Loa Loa (eye worm)	AUR protein kinase	0.0136	0.1772	0.2021
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0145	0.0166
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0145	0.0407
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0145	0.0407
Brugia malayi	hypothetical protein	0.001	0.0016	0.0018
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0131	0.0134
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0145	0.0166
Schistosoma mansoni	coup transcription factor	0.002	0.0145	0.0407
Echinococcus multilocularis	aurora kinase A	0.0136	0.1772	0.1817
Entamoeba histolytica	hypothetical protein	0.0075	0.0923	0.4822
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.001	0.0016	0.0016
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.024	0.1103
Brugia malayi	TAR-binding protein	0.0062	0.0738	0.0841
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0145	0.0166
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0131	0.0149
Entamoeba histolytica	protein kinase, putative	0.0136	0.1772	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.043	0.1822
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0091	0.1147	0.1176
Echinococcus granulosus	dna polymerase eta	0.0019	0.0131	0.0134
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.043	0.0441
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.1147	0.3211
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0131	0.0149
Onchocerca volvulus		0.004	0.043	0.043
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0016	0.0044
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0638	0.877	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0145	0.0166
Mycobacterium leprae	Probable lipase LipE	0.004	0.043	0.5
Brugia malayi	steroid hormone receptor	0.002	0.0145	0.0166
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Brugia malayi	nuclear receptor NHR-88	0.002	0.0145	0.0166
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0145	0.0407
Leishmania major	hypothetical protein, conserved	0.004	0.043	0.1822
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.001	0.0016	0.0018
Leishmania major	protein kinase, putative	0.0136	0.1772	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1317	0.1501
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0145	0.0407
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0131	0.0134
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0205	0.0573
Mycobacterium ulcerans	beta-lactamase	0.004	0.043	1
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.043	0.0303
Schistosoma mansoni	cellular tumor antigen P53	0.0104	0.1317	0.3687
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.024	0.0664
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.043	0.0303
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0016	0.0018
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0145	0.0166
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.043	0.2206
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0131	0.047
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0265	0.3571	0.3662
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0145	0.0149
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0131	0.0367
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0131	0.0134
Toxoplasma gondii	aurora kinase	0.0136	0.1772	1
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0923	0.2583
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.043	0.0303
Trypanosoma cruzi	aurora B kinase, putative	0.0136	0.1772	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0145	0.0149
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.043	0.0902
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0738	0.0757
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0131	0.0367
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0136	0.1772	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.1147	0.3211
Schistosoma mansoni	thyroid hormone receptor	0.0265	0.3571	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.024	0.011
Trichomonas vaginalis	AGC family protein kinase	0.0136	0.1772	0.1663
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.043	0.0303
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0018
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0145	0.0166
Entamoeba histolytica	protein kinase, putative	0.0136	0.1772	1
Toxoplasma gondii	ABC1 family protein	0.004	0.043	0.124
Loa Loa (eye worm)	AUR protein kinase	0.0136	0.1772	0.2021
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0145	0.0166
Onchocerca volvulus		0.002	0.0145	0.0145
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.043	1
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0136	0.1772	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0131	0.0149
Brugia malayi	Flap endonuclease-1	0.0026	0.024	0.0274
Brugia malayi	beta-lactamase	0.004	0.043	0.049
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0145	0.0149
Plasmodium vivax	SET domain protein, putative	0.0091	0.1147	0.5917
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.001	0.0016	0.0018
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0738	0.0841
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.1147	0.3211
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0145	0.0166
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0145	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0738	0.2066
Onchocerca volvulus		0.0104	0.1317	0.1317
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.001	0.0016	0.0044
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.024	0.0664
Mycobacterium tuberculosis	Conserved protein	0.004	0.043	0.0902
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0145	0.0149
Trypanosoma brucei	aurora B kinase	0.0136	0.1772	1
Schistosoma mansoni	hypothetical protein	0.0245	0.3296	0.923
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0145	0.0166
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0145	0.0145
Schistosoma mansoni	hypothetical protein	0.0075	0.0923	0.2583
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0091	0.1147	0.1176
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0136	0.1772	0.1817
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0738	0.2066
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0145	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0738	0.2066
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0145	0.0149
Schistosoma mansoni	serine/threonine protein kinase	0.0136	0.1772	0.4963
Brugia malayi	serine/threonine kinase 12	0.0136	0.1772	0.2021
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.043	0.0902
Brugia malayi	Pre-SET motif family protein	0.0638	0.877	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0738	0.0841
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0738	0.0757
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0145	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0145	0.0166
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0145	0.0149
Schistosoma mansoni	thyroid hormone receptor	0.0265	0.3571	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0136	0.1772	1
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0016	0.0018
Mycobacterium leprae	conserved hypothetical protein	0.004	0.043	0.5
Brugia malayi	Pre-SET motif family protein	0.0091	0.1147	0.1308
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0145	0.0145
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0145	0.0407
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0131	0.0134
Loa Loa (eye worm)	hypothetical protein	0.002	0.0145	0.0166
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.043	1
Brugia malayi	serine/threonine-protein kinase 6	0.0136	0.1772	0.2021
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0145	0.0166
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0145	0.0149
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0091	0.1147	0.5917
Brugia malayi	beta-lactamase family protein	0.004	0.043	0.049
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0923	0.0946
Loa Loa (eye worm)	beta-lactamase	0.004	0.043	0.049
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.043	0.0902
Trichomonas vaginalis	AGC family protein kinase	0.0136	0.1772	0.1663
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0131	0.047
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0091	0.1147	0.3211
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.024	0.0274
Mycobacterium ulcerans	hypothetical protein	0.004	0.043	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.043	0.0902
Giardia lamblia	Aurora kinase	0.0136	0.1772	1
Mycobacterium tuberculosis	Conserved protein	0.004	0.043	0.0902
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0145	0.0149
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0923	0.0946
Loa Loa (eye worm)	hypothetical protein	0.004	0.043	0.049

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 19 nM	Antiproliferative activity against human HCT116 cells after 72 hrs by BrdU-based ELISA	ChEMBL.	22380736
IC50 (binding)	= 63.2 nM	Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA	ChEMBL.	22380736
Kd (binding)	= 2.9 nM	Binding affinity to Aurora kinase B catalytic domain by competition binding assay	ChEMBL.	22380736
Kd (binding)	= 6.3 nM	Binding affinity to Aurora kinase A catalytic domain by competition binding assay	ChEMBL.	22380736

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22380736

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: CHEMBL2163392

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1678813