TDR Targets

Basic information

Technical information

TDR Targets ID: 417039
Name: 5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxym ethyl)oxolan-2-yl]pyrimidine-2,4-dione
MW: 252.223 | Formula: C11H12N2O5
H donors: 3 H acceptors: 4 LogP: -1.07 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O
InChi: 1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChiKey: CDEURGJCGCHYFH-DJLDLDEBSA-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

5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
5-ethynyl-2'-deoxyuridine
61135-33-9
AIDS072372
5-Ethynyl-dUrd
AIDS-072372

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	tubulin alpha-2 chain	0.0072	0.0159	0.0104
Brugia malayi	Tubulin alpha chain	0.0072	0.0159	0.0104
Echinococcus granulosus	serotonin transporter	0.0151	0.045	0.0397
Trypanosoma cruzi	alpha tubulin, putative	0.0072	0.0159	0.0183
Trypanosoma cruzi	beta tubulin, putative	0.006	0.0115	0.0105
Echinococcus granulosus	beta tubulin	0.006	0.0115	0.006
Echinococcus multilocularis	tubulin beta 1 chain	0.006	0.0115	0.006
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0159	0.0159
Schistosoma mansoni	tubulin subunit alpha	0.0072	0.0159	0.0104
Schistosoma mansoni	alpha tubulin	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Echinococcus multilocularis	Tubulin beta 2C chain	0.006	0.0115	0.006
Leishmania major	C-8 sterol isomerase-like protein	0.1587	0.5712	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.006	0.0115	0.006
Brugia malayi	alpha-tubulin	0.0072	0.0159	0.0104
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0151	0.045	0.045
Echinococcus multilocularis	beta tubulin	0.006	0.0115	0.006
Echinococcus granulosus	vesicular acetylcholine transporter	0.2757	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0072	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0069	0.0069
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0072	0.0159	1
Echinococcus granulosus	tubulin subunit beta	0.006	0.0115	0.006
Giardia lamblia	Beta tubulin	0.006	0.0115	0.5736
Loa Loa (eye worm)	alpha-tubulin	0.0072	0.0159	0.0159
Plasmodium falciparum	tubulin beta chain	0.006	0.0115	0.5736
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Treponema pallidum	sodium- and chloride- dependent transporter	0.0151	0.045	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0072	0.0159	0.0104
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Echinococcus granulosus	tubulin alpha chain	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0053	0.009	0.009
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.2757	1	1
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.2757	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0072	0.0159	1
Loa Loa (eye worm)	tubulin alpha 2	0.0053	0.009	0.009
Echinococcus granulosus	tubulin alpha chain	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0072	0.0159	1
Trypanosoma brucei	beta tubulin	0.006	0.0115	0.0105
Brugia malayi	Tubulin beta-1 chain	0.006	0.0115	0.006
Echinococcus granulosus	tubulin alpha chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	serotonin transporter	0.0151	0.045	0.0397
Echinococcus granulosus	tubulin subunit TubB	0.0072	0.0159	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0151	0.045	0.045
Echinococcus multilocularis	Tubulin beta 2C chain	0.006	0.0115	0.006
Loa Loa (eye worm)	alpha-tubulin	0.0072	0.0159	0.0159
Trypanosoma brucei	alpha tubulin	0.0072	0.0159	0.0183
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	beta-tubulin	0.006	0.0115	0.0115
Loa Loa (eye worm)	tubulin beta-1 chain	0.006	0.0115	0.0115
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Trichomonas vaginalis	tubulin gamma chain, putative	0.006	0.0115	0.5736
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0072	0.0159	0.0159
Brugia malayi	beta-tubulin, identical	0.006	0.0115	0.006
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0072	0.0159	1
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	BEN-1 protein	0.006	0.0115	0.0115
Loa Loa (eye worm)	tubulin beta-4 chain	0.006	0.0115	0.0115
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	tubulin alpha 2	0.0053	0.009	0.009
Trypanosoma brucei	alpha tubulin	0.0072	0.0159	0.0183
Plasmodium vivax	tubulin beta chain, putative	0.006	0.0115	0.5736
Echinococcus multilocularis	tubulin alpha chain	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Entamoeba histolytica	tubulin family protein	0.006	0.0115	0.5736
Entamoeba histolytica	tubulin alpha-1 chain	0.0072	0.0159	1
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1587	0.5712	1
Toxoplasma gondii	beta-tubulin, putative	0.006	0.0115	0.5736
Echinococcus granulosus	Tubulin beta 2C chain	0.006	0.0115	0.006
Echinococcus multilocularis	tubulin alpha 3 chain	0.0072	0.0159	0.0104
Giardia lamblia	Beta tubulin	0.006	0.0115	0.5736
Echinococcus multilocularis	tubulin subunit beta	0.006	0.0115	0.006
Echinococcus granulosus	tubulin alpha chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	tubulin alpha chain	0.0072	0.0159	0.0104
Trichomonas vaginalis	tubulin beta chain, putative	0.006	0.0115	0.5736
Brugia malayi	tubulin alpha chain - mouse	0.0072	0.0159	0.0104
Loa Loa (eye worm)	tubulin beta-2A chain	0.006	0.0115	0.0115
Brugia malayi	Tubulin alpha-2 chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	tubulin alpha 1C chain	0.0072	0.0159	0.0104
Trypanosoma brucei	beta tubulin	0.006	0.0115	0.0105
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Loa Loa (eye worm)	tubulin beta chain	0.006	0.0115	0.0115
Toxoplasma gondii	beta-1 tubulin, putative	0.006	0.0115	0.5736
Loa Loa (eye worm)	tubulin alpha chain	0.0072	0.0159	0.0159
Plasmodium vivax	tubulin alpha chain, putative	0.0072	0.0159	1
Echinococcus multilocularis	tubulin subunit TubB	0.0072	0.0159	0.0104
Giardia lamblia	Beta tubulin	0.006	0.0115	0.5736
Echinococcus granulosus	tubulin alpha 1C chain	0.0072	0.0159	0.0104
Echinococcus granulosus	beta tubulin	0.006	0.0115	0.006
Echinococcus granulosus	tubulin beta 1 chain	0.006	0.0115	0.006
Echinococcus multilocularis	vesicular acetylcholine transporter	0.2757	1	1
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Schistosoma mansoni	vesicular acetylcholine transporter	0.2757	1	1
Echinococcus granulosus	tubulin alpha chain	0.0072	0.0159	0.0104
Trichomonas vaginalis	tubulin epsilon chain, putative	0.006	0.0115	0.5736
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Giardia lamblia	Alpha-tubulin	0.0072	0.0159	1
Trypanosoma brucei	alpha tubulin	0.0072	0.0159	0.0183
Echinococcus multilocularis	Tubulin beta 2C chain	0.006	0.0115	0.006
Echinococcus multilocularis	tubulin alpha 3 chain	0.0072	0.0159	0.0104
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Trichomonas vaginalis	tubulin alpha chain, putative	0.006	0.0115	0.5736
Loa Loa (eye worm)	BEN-1 protein	0.006	0.0115	0.0115
Echinococcus granulosus	tubulin alpha 3 chain	0.0072	0.0159	0.0104
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.045	0.045
Echinococcus multilocularis	Tubulin beta 2C chain	0.006	0.0115	0.006
Giardia lamblia	Alpha-tubulin	0.0072	0.0159	1
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0047	0.0069	0.0069
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Plasmodium falciparum	alpha tubulin 2	0.0072	0.0159	1
Plasmodium falciparum	alpha tubulin 1	0.0072	0.0159	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0053	0.009	0.3354
Loa Loa (eye worm)	tubulin alpha chain	0.0072	0.0159	0.0159
Loa Loa (eye worm)	tubulin gamma chain	0.0043	0.0055	0.0055
Echinococcus granulosus	Tubulin beta 2C chain	0.006	0.0115	0.006
Schistosoma mansoni	tubulin subunit alpha	0.0072	0.0159	0.0104
Loa Loa (eye worm)	serotonin transporter b	0.0151	0.045	0.045
Echinococcus granulosus	alpha tubulin	0.0072	0.0159	0.0104
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0151	0.045	0.0397
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Trichomonas vaginalis	tubulin epsilon chain, putative	0.006	0.0115	0.5736
Echinococcus granulosus	Tubulin beta 2C chain	0.006	0.0115	0.006
Echinococcus multilocularis	Tubulin beta 2C chain	0.006	0.0115	0.006
Echinococcus granulosus	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Echinococcus granulosus	tubulin beta 4A class IVa	0.006	0.0115	0.006
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Echinococcus granulosus	tubulin alpha 1C chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	tubulin alpha chain	0.0072	0.0159	0.0104
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Echinococcus granulosus	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0151	0.045	0.0397
Plasmodium vivax	tubulin alpha chain, putative	0.0072	0.0159	1
Brugia malayi	Tubulin alpha-2 chain	0.0072	0.0159	0.0104
Trypanosoma brucei	beta tubulin	0.006	0.0115	0.0105
Loa Loa (eye worm)	hypothetical protein	0.1587	0.5712	0.5712
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0053	0.009	0.009
Schistosoma mansoni	alpha tubulin	0.0072	0.0159	0.0104
Echinococcus granulosus	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Trypanosoma brucei	beta tubulin	0.006	0.0115	0.0105
Trypanosoma brucei	alpha tubulin	0.0072	0.0159	0.0183
Loa Loa (eye worm)	norepinephrine transporter	0.0151	0.045	0.045
Loa Loa (eye worm)	hypothetical protein	0.0151	0.045	0.045
Echinococcus granulosus	peroxisome assembly protein 26	0.0072	0.0159	0.0104
Leishmania major	beta tubulin	0.006	0.0115	0.0105
Trichomonas vaginalis	tubulin beta chain, putative	0.0072	0.0159	1
Trichomonas vaginalis	tubulin, putative	0.006	0.0115	0.5736
Schistosoma mansoni	sodium/chloride dependent transporter	0.0151	0.045	0.0397
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1587	0.5712	1
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Entamoeba histolytica	tubulin alpha chain, putative	0.0072	0.0159	1
Echinococcus granulosus	Tubulin beta 2C chain	0.006	0.0115	0.006
Echinococcus multilocularis	hypothetical protein	0.0072	0.0159	0.0104
Schistosoma mansoni	alpha tubulin	0.0072	0.0159	0.0104
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.1587	0.5712	0.5688
Leishmania major	alpha tubulin	0.0072	0.0159	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0811	0.2869	0.2869
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	peroxisome assembly protein 26	0.0072	0.0159	0.0104
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Echinococcus granulosus	tubulin alpha 3 chain	0.0072	0.0159	0.0104
Echinococcus multilocularis	tubulin alpha chain	0.0072	0.0159	0.0104
Schistosoma mansoni	tubulin subunit beta	0.006	0.0115	0.006
Echinococcus multilocularis	beta tubulin	0.006	0.0115	0.006
Echinococcus multilocularis	tubulin alpha 1C chain	0.0072	0.0159	0.0104
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0047	0.0069	0.1339
Echinococcus granulosus	Tubulin beta 2C chain	0.006	0.0115	0.006
Entamoeba histolytica	tubulin family protein	0.006	0.0115	0.5736
Echinococcus multilocularis	tubulin alpha chain	0.0072	0.0159	0.0104
Toxoplasma gondii	beta tubulin	0.006	0.0115	0.5736

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antiviral activity against VSV in HeLa cells at 40 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Coxsackie virus B4 in HeLa cells at 40 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Respiratory syncytial virus in HeLa cells at 40 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Parainfluenza 3 virus in vero cells assessed as reduction of virus-induced cytopathicity at 20 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Reovirus1 in vero cells assessed as reduction of virus-induced cytopathicity at 40 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Sindbis virus in vero cells assessed as reduction of virus-induced cytopathicity at 40 to >400 ug/mL	ChEMBL.	17518459
Activity (functional)	0	Antiviral activity against Punta Toro virus in vero cells assessed as reduction of virus-induced cytopathicity at 20 to >400 ug/mL	ChEMBL.	17518459
CC50 (ADMET)	= 2.5 uM	Cytotoxicity against HEL cells	ChEMBL.	17518459
CC50 (ADMET)	= 2.5 uM	Cytotoxicity against HEL cells	ChEMBL.	17518459
EC50 (functional)	= 0.1 ug ml-1	Antiviral activity against Vaccinia virus in E6SM cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17518459
EC50 (functional)	= 0.7 ug ml-1	Antiviral activity against HSV1 KOS in E6SM cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17518459
EC50 (functional)	= 0.7 ug ml-1	Antiviral activity against thymidine kinase-deficient HSV1 B2006 in E6SM cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17518459
EC50 (functional)	= 2 ug ml-1	Antiviral activity against HSV2 G in E6SM cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17518459
EC50 (functional)	= 4 ug ml-1	Antiviral activity against thymidine kinase deficient HSV1 VMW1837 in E6SM cells assessed as reduction of virus-induced cytopathogenicity	ChEMBL.	17518459
EC50 (functional)	= 0.11 uM	Antiviral activity against TK+ VZV YS in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
EC50 (functional)	= 0.16 uM	Antiviral activity against TK+ VZV OKA in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
EC50 (functional)	= 0.75 uM	Antiviral activity against thymidine kinase deficient VZV YS in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
EC50 (functional)	= 0.81 uM	Antiviral activity against thymidine kinase deficient VZV 07/1 in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
EC50 (functional)	= 0.85 uM	Antiviral activity against HCMV Davis in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
EC50 (functional)	= 1.2 uM	Antiviral activity against HCMV AD169 in HEL cells assessed as reduction of virus plaque formation	ChEMBL.	17518459
IC50 (functional)	= 0.083 uM	Inhibition of proliferation of VZV thymidine kinase expressing OSTtk-/VZVtk+ -a cells	ChEMBL.	17518459
IC50 (functional)	= 0.13 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV1 thymidine kinase	ChEMBL.	17518459
IC50 (functional)	= 0.13 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV1 thymidine kinase	ChEMBL.	17518459
IC50 (functional)	= 0.16 uM	Inhibition of proliferation of VZV thymidine kinase expressing OSTtk-/VZVtk+ -b cells	ChEMBL.	17518459
IC50 (functional)	= 0.18 uM	Inhibition of proliferation of mouse FM3A/O cells	ChEMBL.	17518459
IC50 (ADMET)	= 0.36 uM	Cytotoxicity against mouse L1210/0 cells after 48 hrs	ChEMBL.	17341060
IC50 (functional)	= 0.39 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV2 thymidine kinase	ChEMBL.	17518459
IC50 (functional)	= 0.39 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells expressing HSV2 thymidine kinase	ChEMBL.	17518459
IC50 (functional)	= 0.4 uM	Cytotoxicity against human MCF7 cells after 72 hrs	ChEMBL.	17336074
IC50 (functional)	= 0.4 uM	Cytotoxicity against human MCF7 cells after 72 hrs	ChEMBL.	17336074
IC50 (functional)	= 4.4 uM	Cytotoxicity against human MDA-MB-231 cells after 72 hrs	ChEMBL.	17336074
IC50 (functional)	= 4.4 uM	Cytotoxicity against human MDA-MB-231 cells after 72 hrs	ChEMBL.	17336074
IC50 (functional)	= 23 uM	Inhibition of proliferation of thymidine kinase deficient OST cells	ChEMBL.	17518459
IC50 (functional)	= 23 uM	Inhibition of proliferation of thymidine kinase deficient OST cells	ChEMBL.	17518459
IC50 (functional)	>= 250 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells	ChEMBL.	17518459
IC50 (functional)	>= 250 uM	Inhibition of proliferation of thymidine kinase deficient mouse FM3A cells	ChEMBL.	17518459
ID50 (functional)	= 0.09 ug ml-1	Concentration required to reduce leukemia L1210 cell growth in mice	ChEMBL.	6302254
ID50 (functional)	= 0.16 ug ml-1	Inhibitory activity of the compound against incorpotaion of deoxy-[methyl.3H-]-thymidine (dThd) into the DNA of murine leukemia L1210 cell cultures	ChEMBL.	6302254
ID50 (functional)	= 28 ug ml-1	Inhibitory activity of the compound against incorpotaion of deoxy-[methyl.3H-]-thymidine (dThd) into the DNA of murine leukemia L1210 cell cultures	ChEMBL.	6302254
MCC (ADMET)	> 400 ug ml-1	Cytotoxicity against E6SM cells assessed as alteration in cell morphology	ChEMBL.	17518459
MCC (ADMET)	> 400 ug ml-1	Cytotoxicity against E6SM cells assessed as alteration in cell morphology	ChEMBL.	17518459
MCC (ADMET)	> 200 uM	Cytotoxicity against HEL cells assessed as alteration in cell morphology	ChEMBL.	17518459
MCC (ADMET)	> 200 uM	Cytotoxicity against HEL cells assessed as alteration in cell morphology	ChEMBL.	17518459

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	17518459
Homo sapiens	ChEMBL23	17336074

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

Search by CAS
ChEMBL: CHEMBL222932
PubChem: 472172

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 417039