TDR Targets

Basic information

Technical information

TDR Targets ID: 21525
Name: [2-[4-[4-[bis(2-chloroethyl)amino]phenyl]buta noyloxy]-3-hexadecanoyloxypropyl] hexadecanoa te
MW: 855.108 | Formula: C49H85Cl2NO6
H donors: 0 H acceptors: 3 LogP: 18.17 Rotable bonds: 45
Rule of 5 violations (Lipinski): 2
SMILES: ClCCN(c1ccc(cc1)CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCl
InChi: 1S/C49H85Cl2NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-47(53)56-42-46(43-57-48(54)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-49(55)33-29-30-44-34-36-45(37-35-44)52(40-38-50)41-39-51/h34-37,46H,3-33,38-43H2,1-2H3
InChiKey: ONYSZSAXTDHFPL-UHFFFAOYSA-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

[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]-3-hexadecanoyloxy-propyl] hexadecanoate
hexadecanoic acid [2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-3-(1-oxohexadecoxy)propyl] ester
palmitic acid [2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]-3-hexadecanoyloxy-propyl] ester
1,3-dipalmitoyl-2-(4-(bis(2-chloroethyl)amino)benzenebutanoyl)glycerol
85763-07-1
Benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-, 2-((1-oxohexadecyl)oxy)-1-(((1-oxohexadecyl)oxy)methyl)ethyl ester
1,3-DP-Chlorambucil

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 cruzi	mitogen-activated protein kinase 11, putative	0.0167	0.4265	0.414
Brugia malayi	nuclear receptor NHR-88	0.001	0.0055	0.0055
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0055	0.0055
Brugia malayi	hypothetical protein	0.0043	0.0939	0.0939
Mycobacterium tuberculosis	6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase)	0.0043	0.0939	1
Onchocerca volvulus		0.0043	0.0939	0.1006
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0055	0.0055
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0055	0.0055
Echinococcus multilocularis	adenosine kinase	0.0379	1	1
Trypanosoma cruzi	adenosine kinase, putative	0.0043	0.0939	0.0741
Schistosoma mansoni	hypothetical protein	0.0175	0.4497	0.4497
Trypanosoma brucei	ribokinase, putative	0.0043	0.0939	0.0741
Leishmania major	putative PfkB family sugar kinase	0.0043	0.0939	0.0741
Echinococcus multilocularis	geminin	0.0175	0.4497	0.4497
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0055	0.0055
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0055	0.0055
Leishmania major	adenosine kinase-like protein	0.0043	0.0939	0.0741
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0055	0.0055
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0055	0.0055
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0776	0.0776
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0055	0.0055
Trypanosoma brucei	protein kinase, putative	0.0167	0.4265	0.414
Entamoeba histolytica	fructokinase, putative	0.0043	0.0939	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0055	0.0055
Brugia malayi	hypothetical protein	0.0037	0.0776	0.0776
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0055	0.0055
Brugia malayi	steroid hormone receptor	0.001	0.0055	0.0055
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0167	0.4265	0.414
Toxoplasma gondii	kinase, pfkB family protein	0.0379	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0055	0.0055
Brugia malayi	photoreceptor-specific nuclear receptor	0.0255	0.6636	0.6636
Echinococcus granulosus	pseudouridine metabolizing bifunctional protein	0.0043	0.0939	0.0939
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0214	0.0214
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0055	0.0055
Entamoeba histolytica	tagatose-6-phosphate kinase, putative	0.0043	0.0939	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0379	1	1
Echinococcus granulosus	geminin	0.0175	0.4497	0.4497
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0167	0.4265	0.414
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0214	0.0214
Mycobacterium leprae	Probable adenosine kinase adk	0.0043	0.0939	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0214	0.0214
Schistosoma mansoni	coup transcription factor	0.001	0.0055	0.0055
Trypanosoma brucei	ribokinase, putative	0.0043	0.0939	0.0741
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0055	0.0055
Brugia malayi	MAP kinase sur-1	0.0167	0.4265	0.4265
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0055	0.0055
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Schistosoma mansoni	adenosine kinase	0.0379	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0055	0.0055
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0055	0.0055
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0214	0.0214
Leishmania major	adenosine kinase, putative	0.0379	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0055	0.0055
Echinococcus multilocularis	pseudouridine metabolizing bifunctional protein	0.0043	0.0939	0.0939
Trypanosoma cruzi	adenosine kinase, putative	0.0379	1	1
Entamoeba histolytica	ribokinase, putative	0.0043	0.0939	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0214	0.0214
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0055	0.0055
Echinococcus granulosus	mitogen activated protein kinase 3	0.0167	0.4265	0.4265
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Brugia malayi	nuclear hormone receptor	0.001	0.0055	0.0055
Echinococcus granulosus	mitogen activated protein kinase	0.0167	0.4265	0.4265
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0055	0.0055
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0939	0.0939
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0055	0.0055
Onchocerca volvulus		0.0336	0.8835	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0055	0.0055
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.3102	0.3102
Trichomonas vaginalis	CMGC family protein kinase	0.0167	0.4265	1
Trichomonas vaginalis	CMGC family protein kinase	0.0167	0.4265	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0055	0.0055
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0055	0.0055
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0167	0.4265	0.414
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0055	0.0055
Trypanosoma cruzi	adenosine kinase, putative	0.0379	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0055	0.0055
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0043	0.0939	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0939	0.0939
Schistosoma mansoni	ribokinase	0.0043	0.0939	0.0939
Brugia malayi	Ribokinase	0.0043	0.0939	0.0939
Onchocerca volvulus	Putative pyridoxal kinase	0.0043	0.0939	0.1006
Schistosoma mansoni	adenosine kinase	0.0379	1	1
Leishmania major	adenosine kinase-like protein	0.0043	0.0939	0.0741
Leishmania major	tagatose-6-phosphate kinase-like protein	0.0043	0.0939	0.0741
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0055	0.0055
Trypanosoma brucei	adenosine kinase, putative	0.0379	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0055	0.0055
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0055	0.0055
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0167	0.4265	0.4265
Trypanosoma cruzi	ribokinase, putative	0.0043	0.0939	0.0741
Leishmania major	ribokinase, putative	0.0043	0.0939	0.0741
Echinococcus multilocularis	mitogen activated protein kinase	0.0167	0.4265	0.4265
Schistosoma mansoni	serine/threonine protein kinase	0.0167	0.4265	0.4265
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0055	0.0055
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0055	0.0055
Mycobacterium ulcerans	carbohydrate kinase CbhK	0.0043	0.0939	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0055	0.0055
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0255	0.6636	0.6636
Onchocerca volvulus	Ribokinase homolog	0.0043	0.0939	0.1006
Brugia malayi	MH2 domain containing protein	0.0123	0.3102	0.3102
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0055	0.0055
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0214	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0055	0.0055
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0214	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0055	0.0055
Trichomonas vaginalis	CMGC family protein kinase	0.0167	0.4265	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0776	0.0776
Trypanosoma cruzi	adenosine kinase, putative	0.0043	0.0939	0.0741
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0055	0.0055
Brugia malayi	ecdysteroid receptor	0.001	0.0055	0.0055
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0167	0.4265	0.4265
Mycobacterium ulcerans	fructokinase, PfkB	0.0043	0.0939	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0055	0.0055
Entamoeba histolytica	kinase, PfkB family	0.0043	0.0939	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0055	0.0055
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0214	0.0214
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0055	0.0055
Mycobacterium tuberculosis	Adenosine kinase	0.0043	0.0939	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0055	0.0055
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0055	0.0055
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0167	0.4265	0.414
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0055	0.0055
Echinococcus granulosus	ribokinase	0.0043	0.0939	0.0939
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0214	0.0214
Echinococcus granulosus	adenosine kinase	0.0379	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0055	0.0055
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0055	0.0055
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0214	0.0214
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0167	0.4265	0.414
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0055	0.0055
Toxoplasma gondii	kinase, pfkB family protein	0.0043	0.0939	0.0741
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0167	0.4265	0.414
Mycobacterium tuberculosis	Ribokinase RbsK	0.0043	0.0939	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.3102	0.3102
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0214	0.0214
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0055	0.0055
Trypanosoma brucei	adenosine kinase, putative	0.0379	1	1
Giardia lamblia	Kinase, CMGC MAPK	0.0167	0.4265	1
Entamoeba histolytica	Hypothetical protein T24C12.3, putative	0.0043	0.0939	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.001	0.0055	0.0055
Trichomonas vaginalis	CMGC family protein kinase	0.0167	0.4265	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0776	0.0776
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0055	0.0055
Echinococcus multilocularis	ribokinase	0.0043	0.0939	0.0939
Schistosoma mansoni	hypothetical protein	0.0037	0.0776	0.0776
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0055	0.0055
Schistosoma mansoni	hypothetical protein	0.0175	0.4497	0.4497
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0167	0.4265	0.414
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0055	0.0055

Activities

Activity type	Activity value	Assay description	Source	Reference
BWC (functional)	= -3.95 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.069 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -3.95 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.069 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -3.9 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.17 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -3.9 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.17 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -3.5 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.11 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -3.5 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.11 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.6 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.6 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.55 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.052 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.55 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.052 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.35 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.035 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2.35 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.035 nmol/kg dose against sc inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -2 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -1.6 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
BWC (functional)	= -1.6 g	Antitumor activity measured as Body weight change (BWC) between day 1 and 5 at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (ADMET)	0 day	Antitumor a dose 0.23 nmol/kg against po inoculated P388 leukemia in CDF1 mice; Toxic	ChEMBL.	6876088
MST (functional)	= 17 day	Antitumor a dose 0.035 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 17 day	Antitumor a dose 0.035 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 20.5 day	Antitumor a dose 0.035 nmol/Kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 20.5 day	Antitumor a dose 0.035 nmol/Kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 21.5 day	Antitumor a dose 0.052 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 21.5 day	Antitumor a dose 0.052 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 22 day	Antitumor a dose 0.052 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 22 day	Antitumor a dose 0.052 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 23.5 day	Antitumor a dose 0.069 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 23.5 day	Antitumor a dose 0.069 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 24.5 day	Antitumor a dose 0.11 nmol/kg against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 24.5 day	Antitumor a dose 0.11 nmol/kg against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 26.5 day	Antitumor a dose 0.069 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 26.5 day	Antitumor a dose 0.069 nmol/kg against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 34 day	Antitumor a dose 0.17 nmol/kg against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
MST (functional)	= 34 day	Antitumor a dose 0.17 nmol/kg against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	0 %	Antitumor activity measured as T/C at 0.23 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice; Toxic	ChEMBL.	6876088
T/C (functional)	= 141 %	Antitumor activity measured as T/C at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 141 %	Antitumor activity measured as T/C at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 148 %	Antitumor activity measured as T/C at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 148 %	Antitumor activity measured as T/C at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 162 %	Antitumor activity measured as T/C at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 162 %	Antitumor activity measured as T/C at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 168 %	Antitumor activity measured as T/C at 0.11 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 168 %	Antitumor activity measured as T/C at 0.11 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 170 %	Antitumor activity measured as T/C at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 170 %	Antitumor activity measured as T/C at 0.035 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 220 %	Antitumor activity measured as T/C at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 220 %	Antitumor activity measured as T/C at 0.052 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 234 %	Antitumor activity measured as T/C at 0.17 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 234 %	Antitumor activity measured as T/C at 0.17 nmol/kg dose against po inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 265 %	Antitumor activity measured as T/C at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088
T/C (functional)	= 265 %	Antitumor activity measured as T/C at 0.069 nmol/kg dose against ip inoculated P388 leukemia in CDF1 mice	ChEMBL.	6876088

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

Search by CAS
ChEMBL: CHEMBL19480
PubChem: 135097

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 21525