TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.471 | Formula: C21H26N6O
H donors: 1 H acceptors: 3 LogP: 2.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNc1ccc2c3c1c(=O)c1ccncc1c3nn2CCN(C)C)C
InChi: 1S/C21H26N6O/c1-25(2)10-9-23-16-5-6-17-19-18(16)21(28)14-7-8-22-13-15(14)20(19)24-27(17)12-11-26(3)4/h5-8,13,23H,9-12H2,1-4H3
InChiKey: ZRGAQZSTZSDJOZ-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

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
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0162	0.0162
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0169	0.1746	0.1746
Loa Loa (eye worm)	dihydrofolate reductase	0.0104	0.0993	0.0993
Schistosoma mansoni	growth factor receptor-bound protein	0.003	0.0125	0.0306
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0126	0.1249	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0256	0.2768	0.6782
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.003	0.0125	0.0125
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0126	0.1249	0.0852
Giardia lamblia	Kinase, AGC PKA	0.0126	0.1249	1
Loa Loa (eye worm)	TK protein kinase	0.0138	0.1393	0.1393
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0126	0.1249	0.2246
Brugia malayi	protein-tyrosine kinase	0.0138	0.1393	0.1393
Toxoplasma gondii	aspartyl protease ASP1	0.0058	0.0455	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.0455
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0058	0.0455	0.1136
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.002	0.0001	0.0011
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0057	0.0434	0.1085
Chlamydia trachomatis	dihydrofolate reductase	0.0104	0.0993	0.5
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0033	0.016	0.016
Brugia malayi	hypothetical protein	0.0122	0.1196	0.1196
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.036	0.3991	1
Entamoeba histolytica	protein kinase, putative	0.0021	0.0016	0.0126
Mycobacterium tuberculosis	Hypothetical protein	0.0122	0.1196	0.1148
Brugia malayi	dihydrofolate reductase family protein	0.0104	0.0993	0.0993
Schistosoma mansoni	adapter molecule crk	0.003	0.0125	0.0306
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0159	0.1634	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0278	0.0278
Brugia malayi	TAR-binding protein	0.0064	0.0517	0.0517
Schistosoma mansoni	cathepsin D (A01 family)	0.0172	0.179	0.4384
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.036	0.3991	1
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0169	0.1746	0.1746
Echinococcus multilocularis	dihydrofolate reductase	0.0104	0.0993	0.0993
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0872	1	1
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.002	0.0001	0.0011
Brugia malayi	RNA binding protein	0.0064	0.0517	0.0517
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0058	0.0455	0.3634
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.012	0.1183	0.1183
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0125	0.0125
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0153	0.1568	0.1568
Trichomonas vaginalis	conserved hypothetical protein	0.0122	0.1196	0.9577
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0517	0.0517
Echinococcus granulosus	dihydrofolate reductase	0.0104	0.0993	0.0993
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0058	0.0455	0.1114
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0021	0.0016	0.0126
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0126	0.1249	0.1248
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0872	1	1
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0126	0.1249	0.1249
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.002	0.0001	0.0004
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0153	0.1568	0.1568
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0343	0.0343
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0368	0.4082	0.4082
Brugia malayi	Sex muscle abnormal protein 5	0.003	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.002	0.0001	0.0001
Toxoplasma gondii	AGC kinase	0.0126	0.1249	0.3127
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0036	0.0192	0.0192
Entamoeba histolytica	protein kinase, putative	0.0123	0.1213	0.9712
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0872	1	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0256	0.2768	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0235	0.0235
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0256	0.2768	1
Onchocerca volvulus		0.002	0.0001	0.0005
Mycobacterium ulcerans	thymidylate synthase	0.0256	0.2768	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0172	0.179	0.4384
Onchocerca volvulus		0.0021	0.0011	0.0041
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0035	0.0175	0.0175
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0049	0.0343	0.0343
Brugia malayi	Variant SH3 domain containing protein	0.003	0.0125	0.0125
Schistosoma mansoni	tyrosine kinase	0.0035	0.0175	0.043
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0126	0.1249	0.0852
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.012	0.1183	0.1183
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0126	0.1249	0.1248
Onchocerca volvulus		0.0256	0.2768	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0057	0.0434	0.0434
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0517	0.1267
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0517	0.0517
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0517	0.1267
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0153	0.1568	0.1568
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0517	0.1267
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0138	0.1393	0.1393
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Toxoplasma gondii	AGC kinase	0.0126	0.1249	0.3127
Brugia malayi	prolyl oligopeptidase family protein	0.0169	0.1746	0.1746
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0816	0.934	0.934
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0153	0.1568	0.1568
Brugia malayi	Serine protease Z688.6 precursor	0.002	0.0001	0.0001
Loa Loa (eye worm)	glutamate receptor	0.004	0.0235	0.0235
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0517	0.0517
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0169	0.1746	0.4279
Echinococcus granulosus	mitogen activated protein kinase 14	0.0872	1	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.036	0.3991	1
Brugia malayi	Serine carboxypeptidase S28 family protein	0.002	0.0001	0.0001
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0122	0.1196	0.1195
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0035	0.0175	0.043
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0134	0.1342	0.1342
Brugia malayi	hypothetical protein	0.0043	0.0278	0.0278
Echinococcus multilocularis	NCK adaptor protein	0.003	0.0125	0.0125
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0517	0.1267
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0872	1	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0033	0.016	0.016
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0134	0.1342	0.1342
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Echinococcus granulosus	tyrosine protein kinase HCK	0.0123	0.1213	0.1213
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.1249	0.306
Echinococcus granulosus	c src tyrosine kinase	0.0035	0.0175	0.0175
Schistosoma mansoni	nck2/grb4	0.003	0.0125	0.0306
Schistosoma mansoni	tyrosine kinase	0.0035	0.0175	0.043
Echinococcus multilocularis	growth factor receptor bound protein 2	0.003	0.0125	0.0125
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.036	0.3991	0.399
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.003	0.0125	0.0125
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0153	0.1568	0.1568
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0872	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0872	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.1249	0.306
Leishmania major	protein kinase A catalytic subunit	0.0126	0.1249	0.0852
Echinococcus granulosus	tyrosine protein kinase Blk	0.0138	0.1393	0.1393
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0153	0.1568	0.1568
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0126	0.1249	1
Trichomonas vaginalis	AGC family protein kinase	0.0126	0.1249	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0138	0.1393	0.1393
Loa Loa (eye worm)	hypothetical protein	0.003	0.0125	0.0125
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0057	0.0434	0.0433
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.003	0.0125	0.0306
Loa Loa (eye worm)	hypothetical protein	0.002	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0153	0.1568	0.1568
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0872	1	1
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0126	0.1249	0.0852
Echinococcus multilocularis	thymidylate synthase	0.0256	0.2768	0.2768
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0343	0.0343
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0517	0.0517
Echinococcus granulosus	tyrosine kinase	0.0138	0.1393	0.1393
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0162	0.0162
Schistosoma mansoni	serine/threonine protein kinase	0.0126	0.1249	0.306
Brugia malayi	Tyrosine-protein kinase abl-1	0.0035	0.0175	0.0175
Schistosoma mansoni	dihydrofolate reductase	0.0104	0.0993	0.2432
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0058	0.0455	0.0455
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0057	0.0434	0.0433
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0126	0.1249	0.2246
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Schistosoma mansoni	hypothetical protein	0.0033	0.0162	0.0396
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0517	0.0517
Loa Loa (eye worm)	TK protein kinase	0.0123	0.1213	0.1213
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0153	0.1568	0.1568
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.002	0.0001	0.0001
Schistosoma mansoni	metabotropic glutamate receptor	0.0033	0.016	0.0391
Brugia malayi	SRC-1	0.0153	0.1568	0.1568
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0343	0.0343
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0126	0.1249	0.1249
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0126	0.1249	0.0852
Loa Loa (eye worm)	prolyl oligopeptidase	0.0169	0.1746	0.1746
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0057	0.0434	0.0434
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0517	0.0517
Loa Loa (eye worm)	SRC-1	0.0153	0.1568	0.1568
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0049	0.0343	0.0343
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.002	0.0001	0.0001
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0126	0.1249	0.3127
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0153	0.1568	0.1568
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0035	0.0175	0.0175
Echinococcus granulosus	mitogen activated protein kinase 11	0.0872	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Brugia malayi	Serine protease Z688.6 precursor	0.002	0.0001	0.0001
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0872	1	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.036	0.3991	0.3718
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0153	0.1568	0.1568
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0126	0.1249	0.0852
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0126	0.1249	0.1249
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.036	0.3991	0.3718
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0035	0.0175	0.0175
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0368	0.4082	0.4082
Schistosoma mansoni	growth factor receptor-bound protein	0.003	0.0125	0.0306
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0126	0.1249	0.1248
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0058	0.0455	0.0455
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0057	0.0434	0.1064
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0138	0.1393	0.1393
Schistosoma mansoni	tyrosine kinase	0.0153	0.1568	0.3842
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.002	0.0001	0.0011
Brugia malayi	prolyl oligopeptidase family protein	0.0057	0.0434	0.0434
Echinococcus granulosus	growth factor receptor bound protein 2	0.003	0.0125	0.0125
Brugia malayi	Dihydrofolate reductase	0.0104	0.0993	0.0993
Schistosoma mansoni	tyrosine kinase	0.0153	0.1568	0.3842
Loa Loa (eye worm)	hypothetical protein	0.002	0.0001	0.0001
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0153	0.1568	0.1568
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0343	0.0343
Echinococcus granulosus	thymidylate synthase	0.0256	0.2768	0.2768
Brugia malayi	thymidylate synthase	0.0256	0.2768	0.2768
Echinococcus multilocularis	c src tyrosine kinase	0.0035	0.0175	0.0175
Echinococcus granulosus	NCK adaptor protein	0.003	0.0125	0.0125
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0872	1	1
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0126	0.1249	0.1248
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0138	0.1393	0.1393
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0169	0.1746	0.6308
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0126	0.1249	0.1249
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0058	0.0455	0.0455
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0368	0.4082	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0001	0.0001
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0045	0.0299	0.0733
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0517	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1249	0.1249
Loa Loa (eye worm)	thymidylate synthase	0.0256	0.2768	0.2768
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0123	0.1213	0.1213

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.35 ug ml-1	In vitro cytotoxicity on human colon adenocarcinoma (LoVo ) tumor cell line.	ChEMBL.	9876113
IC50 (functional)	= 0.35 ug ml-1	In vitro cytotoxicity on human colon adenocarcinoma (LoVo ) tumor cell line.	ChEMBL.	9876113
IC50 (functional)	= 1 ug ml-1	In vitro cytotoxicity on human colon adenocarcinoma resistant to doxorubicin (LoVo/Dx ) tumor cell line.	ChEMBL.	9876113
IC50 (functional)	= 1 ug ml-1	In vitro cytotoxicity on human colon adenocarcinoma resistant to doxorubicin (LoVo/Dx ) tumor cell line.	ChEMBL.	9876113
IC50 (functional)	= 0.9 uM	Cytotoxicity against doxorubicin-sensitive human MCF7 cells under oxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
IC50 (functional)	= 1 uM	Cytotoxicity against doxorubicin-resistant human MCF7 cells under oxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
IC50 (functional)	= 1.2 uM	Cytotoxicity against doxorubicin-resistant human MCF7 cells under hypoxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
IC50 (functional)	= 1.3 uM	Cytotoxicity against human LoVo cells under oxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
IC50 (functional)	= 3.3 uM	Cytotoxicity against human LoVo cells under hypoxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
IC50 (functional)	= 4 uM	Cytotoxicity against doxorubicin-sensitive human MCF7 cells under hypoxic condition assessed as growth inhibition after 74 hrs by sulforhodamine B assay	ChEMBL.	22011244
RI (functional)	= 2.8	Resistance index measured as the ratio of IC50 of LoVo/Dx cell line to that of LoVo cell line.	ChEMBL.	9876113
T/C (functional)	= 381 %	In vivo antitumor activity was measured on systemic P388 murine leukemia cells. Optimal dose 4 mg/kg/day.	ChEMBL.	9876113
T/C (functional)	= 381 %	In vivo antitumor activity was measured on systemic P388 murine leukemia cells. Optimal dose 4 mg/kg/day.	ChEMBL.	9876113
TWI (functional)	= 56 %	In vivo antitumor activity was measured on MX-1 human mammary carcinoma cells. TWI%=tumor weight inhibition. Optimal dose 2 mg/kg/day.	ChEMBL.	9876113
TWI (functional)	= 56 %	In vivo antitumor activity was measured on MX-1 human mammary carcinoma cells. TWI%=tumor weight inhibition. Optimal dose 2 mg/kg/day.	ChEMBL.	9876113

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22011244

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: CHEMBL358035
PubChem: 9886077

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 261317