TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 266.333 | Formula: C15H22O4
H donors: 0 H acceptors: 0 LogP: 2.64 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@](OO3)(O[C@H]4OC=C2C)C
InChi: 1S/C15H22O4/c1-9-4-5-11-10(2)8-16-13-15(11)12(9)6-7-14(3,17-13)18-19-15/h8-9,11-13H,4-7H2,1-3H3/t9-,11+,12+,13-,14+,15+/m1/s1
InChiKey: UKXCIQFCSITOCY-IONOKRPISA-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

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
Trypanosoma brucei	alpha tubulin	0.0452699	0.635638	0.626467
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Treponema pallidum	cell division protein FtsZ	0.0149128	0.155282	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0682964	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.00665107	0.0245534	0.022571
Echinococcus multilocularis	tubulin alpha chain	0.0452699	0.635638	0.635638
Echinococcus granulosus	peroxisome assembly protein 26	0.0452699	0.635638	0.635638
Schistosoma mansoni	alpha tubulin	0.0452699	0.635638	0.635638
Echinococcus granulosus	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Echinococcus granulosus	tubulin alpha chain	0.0452699	0.635638	0.635638
Loa Loa (eye worm)	tubulin beta-1 chain	0.0682964	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0682964	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0452699	0.635638	0.568659
Entamoeba histolytica	tubulin family protein	0.0682964	1	1
Echinococcus granulosus	beta tubulin	0.0682964	1	1
Leishmania major	delta tubulin, putative	0.0149128	0.155282	0.13402
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Trypanosoma brucei	epsilon tubulin	0.0343463	0.46279	0.449268
Brugia malayi	Cell division protein ftsZ	0.0149128	0.155282	0.155282
Echinococcus granulosus	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Trypanosoma cruzi	alpha tubulin, putative	0.0452699	0.635638	0.634898
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Brugia malayi	Tubulin alpha chain	0.0149128	0.155282	0.155282
Loa Loa (eye worm)	tubulin alpha 2	0.0303571	0.399666	0.399666
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0682964	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0452699	0.635638	0.635638
Echinococcus granulosus	tubulin subunit TubB	0.0452699	0.635638	0.635638
Echinococcus multilocularis	tubulin alpha 3 chain	0.0452699	0.635638	0.635638
Echinococcus multilocularis	tubulin subunit TubB	0.0452699	0.635638	0.635638
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Giardia lamblia	Beta tubulin	0.0682964	1	1
Plasmodium falciparum	tubulin gamma chain	0.0343463	0.46279	0.364036
Brugia malayi	Tubulin beta chain	0.0149128	0.155282	0.155282
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0303571	0.399666	0.289308
Mycobacterium leprae	cell division protein FtsZ	0.0149128	0.155282	0.5
Echinococcus granulosus	tubulin epsilon chain	0.0343463	0.46279	0.46279
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0343463	0.46279	0.364036
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0149128	0.155282	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0194336	0.226817	0.084685
Echinococcus granulosus	tubulin gamma 1 chain	0.0343463	0.46279	0.46279
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0303571	0.399666	0.399666
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0452699	0.635638	0.568659
Loa Loa (eye worm)	BEN-1 protein	0.0682964	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0682964	1	1
Schistosoma mansoni	tubulin subunit beta	0.0149128	0.155282	0.155282
Mycobacterium ulcerans	cell division protein FtsZ	0.0149128	0.155282	0.5
Loa Loa (eye worm)	hypothetical protein	0.0452699	0.635638	0.635638
Trypanosoma cruzi	zeta tubulin, putative	0.0149128	0.155282	0.153566
Loa Loa (eye worm)	tubulin beta chain	0.0682964	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0452699	0.635638	0.635638
Loa Loa (eye worm)	tubulin alpha 2	0.0303571	0.399666	0.399666
Echinococcus multilocularis	tubulin alpha chain	0.0452699	0.635638	0.635638
Plasmodium vivax	tubulin alpha chain, putative	0.0452699	0.635638	0.568659
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0682964	1	1
Loa Loa (eye worm)	hypothetical protein	0.0303571	0.399666	0.399666
Trypanosoma cruzi	tubulin delta chain	0.0149128	0.155282	0.153566
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Echinococcus granulosus	tubulin beta 4A class IVa	0.0682964	1	1
Brugia malayi	alpha-tubulin	0.0452699	0.635638	0.635638
Trypanosoma brucei	zeta tubulin	0.0149128	0.155282	0.13402
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	tubulin alpha chain	0.0452699	0.635638	0.635638
Schistosoma mansoni	tubulin subunit epsilon	0.0343463	0.46279	0.46279
Onchocerca volvulus		0.0194336	0.226817	1
Echinococcus granulosus	tubulin alpha chain	0.0452699	0.635638	0.635638
Trypanosoma brucei	beta tubulin	0.0682964	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0452699	0.635638	0.635638
Schistosoma mansoni	tubulin subunit alpha	0.0452699	0.635638	0.635638
Trichomonas vaginalis	tubulin alpha chain, putative	0.0682964	1	1
Giardia lamblia	Alpha-tubulin	0.0452699	0.635638	0.568659
Brugia malayi	Tubulin alpha chain	0.0452699	0.635638	0.635638
Loa Loa (eye worm)	BEN-1 protein	0.0682964	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0682964	1	1
Echinococcus multilocularis	beta tubulin	0.0682964	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Brugia malayi	sulfakinin receptor protein	0.0233356	0.288561	0.288561
Trichomonas vaginalis	tubulin beta chain, putative	0.0194336	0.226817	0.084685
Schistosoma mansoni	alpha tubulin	0.0452699	0.635638	0.635638
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Leishmania major	beta tubulin	0.0682964	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.00607397	0.0154216	0.0134206
Plasmodium falciparum	alpha tubulin 2	0.0452699	0.635638	0.568659
Echinococcus multilocularis	peroxisome assembly protein 26	0.0452699	0.635638	0.635638
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	tubulin delta chain	0.0149128	0.155282	0.155282
Trypanosoma brucei	beta tubulin	0.0682964	1	1
Trypanosoma brucei	alpha tubulin	0.0452699	0.635638	0.626467
Echinococcus granulosus	tubulin alpha 1C chain	0.0452699	0.635638	0.635638
Echinococcus granulosus	tubulin alpha 3 chain	0.0452699	0.635638	0.635638
Toxoplasma gondii	alpha-tubulin I, putative	0.0452699	0.635638	0.568659
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Trypanosoma cruzi	cysteine peptidase, putative	0.00665107	0.0245534	0.022571
Echinococcus multilocularis	tubulin subunit beta	0.0682964	1	1
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Loa Loa (eye worm)	hypothetical protein	0.0258363	0.328131	0.328131
Entamoeba histolytica	tubulin family protein	0.0682964	1	1
Trypanosoma brucei	epsilon tubulin	0.0343463	0.46279	0.449268
Echinococcus multilocularis	tubulin delta chain	0.0149128	0.155282	0.155282
Trypanosoma brucei	beta tubulin	0.0343463	0.46279	0.449268
Echinococcus granulosus	Tubulin beta 2C chain	0.0682964	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Brugia malayi	Tubulin beta chain	0.0194336	0.226817	0.226817
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Echinococcus granulosus	tubulin beta 1 chain	0.0682964	1	1
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0149128	0.155282	0.5
Echinococcus multilocularis	tubulin epsilon chain	0.0343463	0.46279	0.46279
Loa Loa (eye worm)	tubulin alpha chain	0.0452699	0.635638	0.635638
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0194336	0.226817	0.084685
Loa Loa (eye worm)	tubulin beta chain	0.0149128	0.155282	0.155282
Plasmodium vivax	tubulin alpha chain, putative	0.0452699	0.635638	0.568659
Giardia lamblia	Beta tubulin	0.0682964	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0682964	1	1
Trypanosoma brucei	beta tubulin	0.0682964	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0149128	0.155282	0.13402
Trypanosoma brucei	tubulin gamma chain	0.0343463	0.46279	0.449268
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0682964	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0682964	1	1
Toxoplasma gondii	beta-tubulin, putative	0.0682964	1	1
Trichomonas vaginalis	tubulin, putative	0.0682964	1	1
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Echinococcus granulosus	tubulin alpha	0.0343463	0.46279	0.46279
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0452699	0.635638	0.568659
Schistosoma mansoni	tubulin subunit gamma	0.0343463	0.46279	0.46279
Trypanosoma brucei	beta tubulin	0.0682964	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0343463	0.46279	0.461698
Echinococcus multilocularis	Tubulin beta 2C chain	0.0682964	1	1
Giardia lamblia	Gamma tubulin	0.0343463	0.46279	0.364036
Plasmodium vivax	tubulin gamma chain, putative	0.0343463	0.46279	0.364036
Trichomonas vaginalis	tubulin alpha chain, putative	0.0343463	0.46279	0.364036
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Echinococcus granulosus	tubulin alpha chain	0.0452699	0.635638	0.635638
Leishmania major	beta tubulin	0.0682964	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0452699	0.635638	0.568659
Trypanosoma cruzi	zeta tubulin, putative	0.0149128	0.155282	0.153566
Echinococcus granulosus	tubulin alpha 3 chain	0.0452699	0.635638	0.635638
Brugia malayi	Tubulin alpha-2 chain	0.0452699	0.635638	0.635638
Plasmodium vivax	tubulin epsilon chain, putative	0.0343463	0.46279	0.364036
Giardia lamblia	Beta tubulin	0.0682964	1	1
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Brugia malayi	Tubulin alpha-2 chain	0.0452699	0.635638	0.635638
Echinococcus multilocularis	tubulin gamma 1 chain	0.0343463	0.46279	0.46279
Trichomonas vaginalis	tubulin alpha chain, putative	0.0194336	0.226817	0.084685
Trichomonas vaginalis	tubulin, putative	0.0194336	0.226817	0.084685
Trichomonas vaginalis	tubulin, putative	0.0194336	0.226817	0.084685
Echinococcus multilocularis	Tubulin beta 2C chain	0.0682964	1	1
Trypanosoma cruzi	tubulin delta chain	0.0149128	0.155282	0.153566
Leishmania major	beta tubulin	0.0682964	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0452699	0.635638	0.321752
Echinococcus granulosus	Tubulin beta 2C chain	0.0682964	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0682964	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0343463	0.46279	0.364036
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0452699	0.635638	0.635638
Echinococcus granulosus	tubulin subunit beta	0.0682964	1	1
Echinococcus granulosus	beta tubulin	0.0682964	1	1
Trypanosoma cruzi	beta tubulin, putative	0.0682964	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0452699	0.635638	0.635638
Trypanosoma brucei	epsilon tubulin	0.0343463	0.46279	0.449268
Brugia malayi	tubulin alpha-2 chain	0.0452699	0.635638	0.635638
Giardia lamblia	Alpha-tubulin	0.0452699	0.635638	0.568659
Echinococcus multilocularis	Tubulin beta 2C chain	0.0682964	1	1
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Brugia malayi	beta-tubulin, identical	0.0682964	1	1
Toxoplasma gondii	beta tubulin	0.0682964	1	1
Loa Loa (eye worm)	hypothetical protein	0.0233356	0.288561	0.288561
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0343463	0.46279	0.364036
Echinococcus multilocularis	tubulin alpha chain	0.0452699	0.635638	0.635638
Loa Loa (eye worm)	tubulin alpha 2	0.0109235	0.0921587	0.0921587
Leishmania major	beta tubulin	0.0682964	1	1
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0452699	0.635638	0.635638
Plasmodium falciparum	tubulin beta chain	0.0682964	1	1
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0452699	0.635638	0.635638
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0682964	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0343463	0.46279	0.46279
Schistosoma mansoni	tubulin subunit alpha	0.0149128	0.155282	0.155282
Trichomonas vaginalis	tubulin alpha chain, putative	0.0194336	0.226817	0.084685
Echinococcus multilocularis	tubulin alpha	0.0343463	0.46279	0.46279
Trypanosoma cruzi	cysteine peptidase, putative	0.00665107	0.0245534	0.022571
Echinococcus multilocularis	Tubulin beta 2C chain	0.0682964	1	1
Trypanosoma brucei	alpha tubulin, putative	0.0194336	0.226817	0.207355
Echinococcus multilocularis	tubulin alpha 3 chain	0.0452699	0.635638	0.635638
Echinococcus granulosus	alpha tubulin	0.0452699	0.635638	0.635638
Echinococcus multilocularis	beta tubulin	0.0682964	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0682964	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0452699	0.635638	0.635638
Trypanosoma brucei	alpha tubulin	0.0452699	0.635638	0.626467
Loa Loa (eye worm)	tubulin alpha chain	0.0452699	0.635638	0.635638
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0258363	0.328131	0.328131
Leishmania major	beta tubulin	0.0682964	1	1
Plasmodium falciparum	alpha tubulin 1	0.0452699	0.635638	0.568659
Schistosoma mansoni	alpha tubulin	0.0452699	0.635638	0.635638
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0452699	0.635638	0.635638
Trypanosoma cruzi	epsilon tubulin, putative	0.0343463	0.46279	0.461698
Trypanosoma cruzi	tubulin gamma chain	0.0343463	0.46279	0.461698
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus granulosus	tubulin alpha chain	0.0452699	0.635638	0.635638
Plasmodium vivax	tubulin beta chain, putative	0.0682964	1	1
Leishmania major	beta tubulin	0.0682964	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0452699	0.635638	0.321752
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0452699	0.635638	0.635638
Leishmania major	gamma-tubulin	0.0343463	0.46279	0.449268
Brugia malayi	tubulin alpha chain - mouse	0.0452699	0.635638	0.635638
Leishmania major	zeta tubulin, putative	0.0149128	0.155282	0.13402
Leishmania major	beta tubulin	0.0682964	1	1
Leishmania major	epsilon tubulin, putative	0.0343463	0.46279	0.449268
Leishmania major	alpha tubulin	0.0452699	0.635638	0.626467
Brugia malayi	Tubulin beta-1 chain	0.0682964	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0452699	0.635638	0.568659
Schistosoma mansoni	tubulin subunit beta	0.0682964	1	1
Leishmania major	beta tubulin	0.0682964	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.00665107	0.0245534	0.022571
Schistosoma mansoni	tubulin subunit delta	0.0149128	0.155282	0.155282
Echinococcus multilocularis	hypothetical protein	0.0452699	0.635638	0.635638
Leishmania major	beta tubulin	0.0682964	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0452699	0.635638	0.635638
Plasmodium falciparum	tubulin epsilon chain, putative	0.0343463	0.46279	0.364036
Trichomonas vaginalis	tubulin gamma chain, putative	0.0682964	1	1
Trypanosoma brucei	tubulin delta chain	0.0149128	0.155282	0.13402
Trypanosoma brucei	alpha tubulin	0.0452699	0.635638	0.626467
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0258363	0.328131	0.204623
Loa Loa (eye worm)	beta-tubulin	0.0682964	1	1
Brugia malayi	Tubulin gamma chain	0.0343463	0.46279	0.46279
Brugia malayi	hypothetical protein	0.0233356	0.288561	0.288561

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)		Antifungal activity against Candida albicans ATCC 90028 by modified CLSI/NCCLS method	ChEMBL.	19879765
IC50 (functional)		Antibacterial activity against Escherichia coli ATCC 35218 by modified CLSI/NCCLS method	ChEMBL.	19879765
IC50 (functional)	= 0.43 ng ml-1	In vitro antimalarial activity against the P. falciparum clone Indochina (W-2)	ChEMBL.	2657065
IC50 (functional)	= 0.83 ng ml-1	In vitro antimalarial activity against the P. falciparum clone Sierra leone (D-6)	ChEMBL.	2657065
IC50 (functional)	= 15.8 nM	Antiplasmodial activity against Plasmodium falciparum D6 infected in RBCs by parasitic LDH release assay	ChEMBL.	19879765
IC50 (functional)	= 20 nM	In vitro inhibitory concentration on chloroquine resistant Plasmodium falciparum FcB1 strain	ChEMBL.	14998331
IC50 (functional)	= 25.5 nM	Antiplasmodial activity against Plasmodium falciparum W2 infected in RBCs by parasitic LDH release assay	ChEMBL.	19879765
IC50 (functional)	= 0.045 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 by modified NCCLS method	ChEMBL.	16124777
IC50 (functional)	= 7 ug ml-1	Antifungal activity against Candida albicans ATCC 90028 by modified NCCLS method	ChEMBL.	16124777
IC50 (functional)	= 0.3 uM	Antifungal activity against Cryptococcus neoformans ATCC 90113 by modified CLSI/NCCLS method	ChEMBL.	19879765
IC50 (functional)	= 30 uM	Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs by alamar blue assay	ChEMBL.	19879765
IC50 (functional)	= 30 uM	Cytotoxicity against human SKHEP1 cells after 72 hrs by formazan test	ChEMBL.	23685181
MIC (functional)	= 0.195 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113 by modified NCCLS method	ChEMBL.	16124777
MIC (functional)	= 50 ug ml-1	Antifungal activity against Candida albicans ATCC 90028 by modified NCCLS method	ChEMBL.	16124777
No. of mice cured (functional)	= 1	Number of mice cured when compound (160 (mg/kg) x3 days) was administered against the P. berghei; 1/5	ChEMBL.	2657065
No. of mice cured (functional)	= 4	Number of mice cured when compound (640 (mg/kg) x3 days) was administered against the P. berghei; 4/5	ChEMBL.	2657065
No. of mice cured (functional)	= 5	Number of mice cured when compound (20 (mg/kg) x3 days) was administered against the P. berghei; 0/5	ChEMBL.	2657065
No. of mice cured (functional)	= 5	Number of mice cured when compound (80 (mg/kg) x3 days) was administered against the P. berghei; 2/5	ChEMBL.	2657065
No. of mice survived (functional)	= 5	Number of mice cured when compound (160 (mg/kg) x3 days) was administered against the P. berghei; 3/5 (considered active as survival time is greater than 12-14 days)	ChEMBL.	2657065
No. of mice survived (functional)	= 5	Number of mice cured when compound (80 (mg/kg) x3 days) was administered against the P. berghei; 1/5 (considered active as survival time is greater than 12-14 days)	ChEMBL.	2657065
No. of mice survived (functional)	= 5	Number of mice cured when compound (640 (mg/kg) x3 days) was administered against the P. berghei; 1/5 (considered active as survival time is greater than 12-14 days)	ChEMBL.	2657065
Parasitemia (functional)	= 18 %	In vivo antimalarial activity against Plasmodium bergi NK 173 in mice by intraperitoneal route at a concentration of 35.5 microM/kg at day 4	ChEMBL.	14998331
Survival (functional)	= 0 %	Percent survival of mice after 20 days post infection of malarial parasite in out of 5 mice	ChEMBL.	14998331

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Cryptococcus neoformans	ChEMBL23	16124777
Plasmodium falciparum	ChEMBL23	14998331
Candida albicans	ChEMBL23	16124777

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.

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External resources for this compound

ChEMBL: CHEMBL520530

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1020026