TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 559.686 | Formula: C28H33N9O2S
H donors: 3 H acceptors: 5 LogP: 3.4 Rotable bonds: 10
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)N1CCCCC1
InChi: 1S/C28H33N9O2S/c1-19-16-24(33-32-19)30-26-23-6-5-14-37(23)34-28(31-26)40-22-9-7-21(8-10-22)29-25(38)18-35-15-11-20(17-35)27(39)36-12-3-2-4-13-36/h5-10,14,16,20H,2-4,11-13,15,17-18H2,1H3,(H,29,38)(H2,30,31,32,33,34)/t20-/m1/s1
InChiKey: FNPQADNIXKBYIS-HXUWFJFHSA-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	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
Plasmodium yoelii	Protein kinase domain, putative	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
Echinococcus multilocularis	serine:threonine protein kinase 12 B	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
Trypanosoma brucei gambiense	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
Brugia malayi	serine/threonine kinase 12	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
Neospora caninum	hypothetical protein	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
Loa Loa (eye worm)	AUR protein 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
Cryptosporidium parvum	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
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	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
Entamoeba histolytica	serine/threonine- protein kinase 6 , 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
Plasmodium falciparum	serine/threonine protein kinase, putative	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
Echinococcus granulosus	aurora kinase A	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
Plasmodium berghei	serine/threonine protein kinase, putative	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
Leishmania braziliensis	protein 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
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora 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
Schistosoma japonicum	ko:K08850 aurora kinase, putative	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
Plasmodium yoelii	putative protein kinase	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
Schistosoma mansoni	protein kinase	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
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	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
Brugia malayi	serine/threonine protein kinase 6	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
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
Trichomonas vaginalis	AGC family protein kinase	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
Trichomonas vaginalis	AGC family protein kinase	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	replication factor c subunit 1	0.001	0.0165	0.0149
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6751	1
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0632	0.0617
Brugia malayi	Importin beta-1 subunit	0.0028	0.0791	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3828	0.3824
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0173	0.0206
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0632	0.0617
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0165	0.0215
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0173	0.0167
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0204	0.6751	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.054	0.08
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0165	0.0215
Brugia malayi	serine/threonine-protein kinase 6	0.0204	0.6751	0.8829
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0173	0.0167
Echinococcus granulosus	transportin 1	0.0005	0.002	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0173	0.0206
Entamoeba histolytica	hypothetical protein	0.0035	0.1027	0.1521
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0173	0.0158
Entamoeba histolytica	hypothetical protein	0.001	0.0165	0.0244
Brugia malayi	hypothetical protein	0.0035	0.1027	0.1326
Brugia malayi	steroid hormone receptor	0.001	0.0173	0.0206
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0167	0.0198
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0167	0.016
Trypanosoma brucei	ULK family serine/threonine-protein kinase, putative	0.0007	0.0076	0.0084
Entamoeba histolytica	protein kinase domain containing protein	0.0204	0.6751	1
Entamoeba histolytica	protein kinase , putative	0.0204	0.6751	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0173	0.0068
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.054	0.0773
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.054	0.057
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0006	0.0009
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0167	0.0003
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0167	0.0238
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0204	0.6751	1
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6751	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0173	0.0158
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0263	0.0361
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0173	0.0158
Onchocerca volvulus		0.001	0.0173	0.0068
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0632	0.0626
Schistosoma mansoni	hypothetical protein	0.0035	0.1027	0.1021
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0165	0.0215
Echinococcus multilocularis	translational activator gcn1	0.0005	0.002	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0173	0.0206
Schistosoma mansoni	DNA ligase IV	0.001	0.0165	0.0158
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0173	0.0158
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1027	0.1013
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0536	0.0767
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0173	0.0206
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0173	0.0068
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0791	0.0777
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0173	0.0206
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0173	0.0167
Brugia malayi	hypothetical protein	0.0231	0.7645	1
Echinococcus granulosus	aurora kinase A	0.0204	0.6751	0.6746
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0791	0.0777
Schistosoma mansoni	importin-beta 2	0.0005	0.002	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0791	0.0786
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0167	0.0151
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0173	0.0158
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0791	0.1172
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0165	0.0235
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.054	0.0773
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0263	0.0361
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0173	0.0167
Loa Loa (eye worm)	AUR protein kinase	0.0204	0.6751	0.6749
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0165	0.0215
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0167	0.0218
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1432	0.1856
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0016	0.001
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.054	0.0525
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0632	0.091
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0173	0.0167
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.054	0.0791
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0165	0.5
Echinococcus granulosus	importin 5	0.0005	0.002	0.0004
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0005	0.002	0.0013
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0173	0.0158
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0173	0.0158
Brugia malayi	topoisomerase	0.001	0.0165	0.0195
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Schistosoma mansoni	ran	0.0021	0.054	0.0534
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0165	0.0215
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0173	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0173	0.0206
Schistosoma mansoni	topbp1	0.001	0.0165	0.0158
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0173	0.0158
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0165	0.0235
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0167	0.0198
Entamoeba histolytica	hypothetical protein	0.0035	0.1027	0.1521
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6751	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0369	0.0538
Leishmania major	protein kinase, putative	0.0204	0.6751	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0165	0.0235
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Brugia malayi	hypothetical protein	0.001	0.0165	0.0195
Entamoeba histolytica	hypothetical protein	0.0035	0.1027	0.1521
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.7645	0.7641
Toxoplasma gondii	aurora kinase	0.0204	0.6751	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0173	0.0206
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.054	0.0791
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0016	0.001
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0263	0.0389
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0632	0.091
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1432	0.1426
Schistosoma mansoni	topbp1	0.001	0.0165	0.0158
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.054	0.0534
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.054	0.0687
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0263	0.038
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1027	0.1013
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0611	0.0879
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0173	0.0206
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0173	0.0158
Loa Loa (eye worm)	kap beta 3 protein	0.0005	0.002	0.0013
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0173	0.0167
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0173	0.0167
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0611	0.0879
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0173	0.0158
Schistosoma mansoni	hypothetical protein	0.03	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0173	0.0206
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0632	0.0808
Schistosoma mansoni	importin beta-1	0.0028	0.0791	0.0786
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0173	0.0167
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0375	0.0556
Echinococcus multilocularis	nibrin	0.001	0.0165	0.0149
Echinococcus granulosus	nibrin	0.001	0.0165	0.0149
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0165	0.0195
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0173	0.0158
Brugia malayi	serine/threonine kinase 12	0.0204	0.6751	0.8829
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0173	0.0167
Onchocerca volvulus		0.0047	0.1432	1
Loa Loa (eye worm)	AUR protein kinase	0.0204	0.6751	0.6749
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0173	0.0158
Chlamydia trachomatis	DNA ligase	0.001	0.0165	0.5
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0165	0.0215
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0173	0.0167
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0791	0.1146
Brugia malayi	ecdysteroid receptor	0.001	0.0173	0.0206
Schistosoma mansoni	ran	0.0021	0.054	0.0534
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0791	0.1146
Entamoeba histolytica	Ran family GTPase	0.0021	0.054	0.08
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.054	0.0525
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0165	0.0215
Entamoeba histolytica	protein kinase, putative	0.0204	0.6751	1
Trypanosoma brucei	aurora B kinase	0.0204	0.6751	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0165	0.0215
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0165	0.0244
Schistosoma mansoni	hypothetical protein	0.0047	0.1432	0.1426
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Schistosoma mansoni	protein kinase	0.0204	0.6751	0.6749
Echinococcus multilocularis	aurora kinase A	0.0204	0.6751	0.6746
Loa Loa (eye worm)	hypothetical protein	0.0231	0.7645	0.7643
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0173	0.0206
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0016	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0173	0.0167
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0173	0.0158
Loa Loa (eye worm)	AUR protein kinase	0.0204	0.6751	0.6749
Schistosoma mansoni	DNA helicase recq1	0.001	0.0167	0.016
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0165	0.0149
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0173	0.0167
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0173	0.0158
Echinococcus multilocularis	transportin 1	0.0005	0.002	0.0004
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0465	0.0459
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0263	0.0361
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0173	0.0167
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0167	0.0151
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.7645	0.7641
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0611	0.0879
Treponema pallidum	DNA ligase (lig)	0.001	0.0165	1
Leishmania major	GTP-binding protein, putative	0.0021	0.054	0.0773
Echinococcus granulosus	translational activator gcn1	0.0005	0.002	0.0004
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0173	0.0167
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0791	0.1164
Entamoeba histolytica	hypothetical protein	0.0035	0.1027	0.1521
Brugia malayi	nuclear hormone receptor	0.001	0.0173	0.0206
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0165	0.0235
Trichomonas vaginalis	AGC family protein kinase	0.0204	0.6751	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0173	0.0167
Trichomonas vaginalis	ran, putative	0.0021	0.054	0.0773
Schistosoma mansoni	DNA helicase recq5	0.001	0.0167	0.016
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0165	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0016	0.001
Giardia lamblia	Aurora kinase	0.0204	0.6751	1
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0204	0.6751	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0173	0.0206
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0204	0.6751	0.6746
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0204	0.6751	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0165	0.0158
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0204	0.6751	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0165	0.0244
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0016	0.001
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0204	0.6751	0.6746
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0173	0.0206
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0165	0.0195
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0165	0.0215
Echinococcus multilocularis	snurportin 1	0.03	1	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0016	0.001
Entamoeba histolytica	HEAT repeat domain containing protein	0.0005	0.002	0.0029
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0173	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0016	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0173	0.0167
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0167	0.0238
Brugia malayi	DKFZp564C0469 protein	0.001	0.0165	0.0195
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1027	0.1021
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0165	0.0235
Loa Loa (eye worm)	hypothetical protein	0.001	0.0167	0.016
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0165	0.0215
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0165	0.0215
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.002	0.002
Schistosoma mansoni	serine/threonine protein kinase	0.0204	0.6751	0.6749
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0173	0.0167
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0173	0.0167
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0173	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0173	0.0206
Brugia malayi	hypothetical protein	0.001	0.0165	0.0195
Brugia malayi	RNA, U transporter 1	0.008	0.2546	0.3317
Brugia malayi	serine/threonine protein kinase 6	0.0204	0.6751	0.8829
Loa Loa (eye worm)	hypothetical protein	0.001	0.0165	0.0158
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0611	0.0879
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0173	0.0206
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0611	0.0897
Plasmodium falciparum	importin beta, putative	0.0028	0.0791	0.1146
Brugia malayi	kap beta 3 protein	0.0005	0.002	0.0005
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0167	0.0151
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0173	0.0158
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0173	0.0158
Schistosoma mansoni	coup transcription factor	0.001	0.0173	0.0167
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0173	0.0068
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0173	0.0167
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0173	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0173	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0016	0.001
Echinococcus multilocularis	importin 5	0.0005	0.002	0.0004
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0165	0.5
Trypanosoma cruzi	aurora B kinase, putative	0.0204	0.6751	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0165	0.0215
Plasmodium vivax	transportin, putative	0.0005	0.002	0.0029
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0167	0.0151
Loa Loa (eye worm)	hypothetical protein	0.001	0.0173	0.0167
Entamoeba histolytica	protein kinase, putative	0.0204	0.6751	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0165	0.0235
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.054	0.0791
Entamoeba histolytica	hypothetical protein	0.0023	0.0611	0.0906
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0173	0.0158

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.2 nM	Antiproliferative activity against human HCT116 cells after 72 hrs by BrdU-based ELISA	ChEMBL.	22380736
IC50 (binding)	= 10 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)	= 6.4 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: CHEMBL2163389

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1679723