TDR Targets

Basic information

Technical information

TDR Targets ID: 78509
Name: 1,4-bis[2-[2-hydroxyethyl(methyl)amino]ethyla mino]anthracene-9,10-dione
MW: 440.535 | Formula: C24H32N4O4
H donors: 4 H acceptors: 4 LogP: 2.65 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(CCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCN(CCO)C)C
InChi: 1S/C24H32N4O4/c1-27(13-15-29)11-9-25-19-7-8-20(26-10-12-28(2)14-16-30)22-21(19)23(31)17-5-3-4-6-18(17)24(22)32/h3-8,25-26,29-30H,9-16H2,1-2H3
InChiKey: BIXABEKDSLDELA-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

1,4-bis[2-[2-hydroxyethyl(methyl)amino]ethylamino]-9,10-anthraquinone
1,4-bis[2-(2-hydroxyethyl-methylamino)ethylamino]anthracene-9,10-dione
1,4-bis[2-(2-hydroxyethyl-methyl-amino)ethylamino]anthracene-9,10-dione
1,4-bis[2-(2-hydroxyethyl-methyl-amino)ethylamino]-9,10-anthraquinone

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
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0568	0.0363	0.0499
Loa Loa (eye worm)	hypothetical protein	0.4146	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.1931	0.4034	0.3944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2091	0.4466	0.4383
Schistosoma mansoni	cathepsin C	0.0488	0.0148	0.0148
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0488	0.0148	0.0148
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Loa Loa (eye worm)	hypothetical protein	0.066	0.061	0.0469
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2091	0.4466	0.4383
Brugia malayi	Papain family cysteine protease containing protein	0.1148	0.1926	0.1805
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0568	0.0363	0.0499
Entamoeba histolytica	cysteine proteinase, putative	0.1148	0.1926	0.4117
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.162	0.3195	0.3093
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Giardia lamblia	Cathepsin B precursor	0.162	0.3195	1
Onchocerca volvulus	Cathepsin L homolog	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0568	0.0363	0.0707
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2091	0.4466	0.4383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4146	1	1
Leishmania major	cathepsin L-like protease	0.2091	0.4466	0.4859
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.1148	0.1926	0.1805
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.4146	1	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0699	0.0716	0.1314
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4146	1	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0716	0.0762	0.0623
Brugia malayi	Cathepsin L-like precursor	0.066	0.061	0.0469
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2091	0.4466	1
Plasmodium vivax	unspecified product	0.1148	0.1926	0.4117
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2091	0.4466	0.4383
Onchocerca volvulus	Cathepsin F homolog	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1431	0.2689	0.5883
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0716	0.0762	0.1421
Echinococcus multilocularis	cathepsin b	0.4146	1	1
Echinococcus multilocularis	cathepsin L	0.1148	0.1926	0.1805
Echinococcus multilocularis	cathepsin L cysteine protease	0.2091	0.4466	0.4383
Entamoeba histolytica	cysteine proteinase, putative	0.1148	0.1926	0.4117
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4146	1	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.0148	0.0148
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.0148	0.0148
Onchocerca volvulus		0.2091	0.4466	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2091	0.4466	1
Onchocerca volvulus		0.2091	0.4466	1
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Entamoeba histolytica	cysteine proteinase, putative	0.2091	0.4466	1
Plasmodium vivax	vivapain-2	0.2091	0.4466	1
Onchocerca volvulus		0.2091	0.4466	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0716	0.0762	0.0623
Echinococcus granulosus	cathepsin l1	0.2091	0.4466	0.4383
Echinococcus granulosus	cathepsin L cysteine protease	0.1148	0.1926	0.1805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.162	0.3195	0.3266
Leishmania major	cathepsin L-like protease	0.2591	0.5812	1
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Loa Loa (eye worm)	hypothetical protein	0.1431	0.2689	0.2579
Loa Loa (eye worm)	hypothetical protein	0.1431	0.2689	0.2579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.1148	0.1926	0.4117
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0488	0.0148	0.0148
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1148	0.1926	0.1926
Trypanosoma cruzi	cysteine peptidase, putative	0.2591	0.5812	0.5749
Trypanosoma cruzi	cysteine peptidase, putative	0.2591	0.5812	0.5749
Onchocerca volvulus		0.2091	0.4466	1
Brugia malayi	Papain family cysteine protease containing protein	0.1148	0.1926	0.1805
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0699	0.0716	0.1863
Loa Loa (eye worm)	ctsf protein	0.2091	0.4466	0.4383
Toxoplasma gondii	cathepsin B	0.162	0.3195	0.6901
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0699	0.0716	0.0858
Loa Loa (eye worm)	cysteine protease	0.2091	0.4466	0.4383
Brugia malayi	Cathepsin L-like precursor	0.1431	0.2689	0.2579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1148	0.1926	0.4117
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.162	0.3195	0.7056
Trypanosoma cruzi	cruzipain precursor, putative	0.2591	0.5812	0.5749
Trypanosoma cruzi	cysteine proteinase, putative	0.1148	0.1926	0.1805
Schistosoma mansoni	cathepsin F (C01 family)	0.1431	0.2689	0.2689
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0699	0.0716	0.1314
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0716	0.0762	0.1421
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Loa Loa (eye worm)	fibroinase	0.2091	0.4466	0.4383
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Loa Loa (eye worm)	hypothetical protein	0.066	0.061	0.0469
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0568	0.0363	0.0707
Trypanosoma cruzi	major cysteine proteinase, putative	0.0988	0.1493	0.1365
Toxoplasma gondii	cathepsin CPC1	0.0699	0.0716	0.0858
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Trypanosoma cruzi	cysteine peptidase, putative	0.2591	0.5812	0.5749
Brugia malayi	Papain family cysteine protease containing protein	0.2091	0.4466	0.4383
Loa Loa (eye worm)	hypothetical protein	0.2091	0.4466	0.4383
Echinococcus multilocularis	cysteine protease	0.2091	0.4466	0.4383
Loa Loa (eye worm)	cathepsin B	0.162	0.3195	0.3093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0488	0.0148	0.0148
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1148	0.1926	0.1926
Entamoeba histolytica	cysteine proteinase, putative	0.1148	0.1926	0.4117
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0716	0.0762	0.0623
Schistosoma mansoni	cathepsin s	0.066	0.061	0.061
Onchocerca volvulus		0.2091	0.4466	1
Plasmodium vivax	unspecified product	0.066	0.061	0.1071
Trypanosoma cruzi	cysteine protease, putative	0.1148	0.1926	0.1805
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Entamoeba histolytica	cysteine proteinase, putative	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1431	0.2689	0.5883
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Toxoplasma gondii	cathepsin CPL	0.2091	0.4466	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.066	0.061	0.0469
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1148	0.1926	0.1926
Plasmodium vivax	vivapain-1	0.1148	0.1926	0.4117
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.4146	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1148	0.1926	0.1805
Echinococcus multilocularis	cathepsin b	0.4146	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Giardia lamblia	Cathepsin B precursor	0.162	0.3195	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Plasmodium vivax	vivapain-3	0.1148	0.1926	0.4117
Leishmania major	cathepsin L-like protease	0.2091	0.4466	0.4859
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Entamoeba histolytica	cysteine protease, putative	0.1148	0.1926	0.4117
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2091	0.4466	0.4383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1148	0.1926	0.4117
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Loa Loa (eye worm)	hypothetical protein	0.1431	0.2689	0.2579
Trypanosoma cruzi	cruzipain precursor, putative	0.066	0.061	0.0469
Brugia malayi	cathepsin L-like precursor	0.1431	0.2689	0.2579
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0716	0.0762	0.1421
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0699	0.0716	0.1314
Leishmania major	cathepsin L-like protease	0.2591	0.5812	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0488	0.0148	0.0148
Echinococcus granulosus	cathepsin b	0.4146	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Entamoeba histolytica	cysteine proteinase 2	0.1148	0.1926	0.4117
Loa Loa (eye worm)	hypothetical protein	0.066	0.061	0.0469
Leishmania major	cathepsin L-like protease	0.2091	0.4466	0.4859
Echinococcus granulosus	cathepsin b	0.4146	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Onchocerca volvulus	Cathepsin L homolog	0.2091	0.4466	1
Giardia lamblia	Cathepsin B precursor	0.162	0.3195	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2091	0.4466	1
Leishmania major	cathepsin L-like protease	0.2591	0.5812	1
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0699	0.0716	0.1314
Entamoeba histolytica	cysteine proteinase, putative	0.1431	0.2689	0.5883
Trypanosoma cruzi	cysteine proteinase, putative	0.1148	0.1926	0.1805
Giardia lamblia	Encystation-specific protease	0.0568	0.0363	0.0707
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0716	0.0762	0.1421
Echinococcus multilocularis	cysteine protease	0.2091	0.4466	0.4383
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.162	0.3195	0.3195
Schistosoma mansoni	cathepsin F (C01 family)	0.2091	0.4466	0.4466
Onchocerca volvulus		0.1431	0.2689	0.5883
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Trypanosoma cruzi	cysteine peptidase, putative	0.066	0.061	0.0469
Trypanosoma cruzi	cysteine peptidase, putative	0.2091	0.4466	0.4383
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0619	0.05	0.0816
Giardia lamblia	Cathepsin B precursor	0.0716	0.0762	0.2014
Entamoeba histolytica	cysteine proteinase, putative	0.1148	0.1926	0.4117
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.066	0.061	0.0469
Echinococcus granulosus	cathepsin L	0.1148	0.1926	0.1805
Echinococcus granulosus	cysteine protease	0.1148	0.1926	0.1805
Leishmania major	cysteine peptidase A (CPA)	0.2091	0.4466	0.4859
Onchocerca volvulus		0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Leishmania major	cathepsin L-like protease	0.2091	0.4466	0.4859
Onchocerca volvulus		0.2091	0.4466	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.0148	0.0148
Schistosoma mansoni	cathepsin S (C01 family)	0.0488	0.0148	0.0148
Plasmodium falciparum	cysteine proteinase falcipain 1	0.1148	0.1926	0.4117
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Plasmodium vivax	vivapain-2	0.2091	0.4466	1
Brugia malayi	Cathepsin L-like precursor	0.2091	0.4466	0.4383
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.0148	0.0148
Schistosoma mansoni	cathepsin F (C01 family)	0.2091	0.4466	0.4466
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2091	0.4466	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.066	0.061	0.0469
Echinococcus multilocularis	cathepsin L cysteine protease	0.2091	0.4466	0.4383
Echinococcus granulosus	cathepsin l1	0.1431	0.2689	0.2579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2591	0.5812	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0488	0.0148	0.0148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0699	0.0716	0.0716
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1431	0.2689	0.2579
Brugia malayi	Cathepsin L-like precursor	0.1431	0.2689	0.2579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2091	0.4466	1
Leishmania major	cathepsin L-like protease	0.2091	0.4466	0.4859
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2091	0.4466	0.4383

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.58 uM	Growth inhibition against A2780 cisplatin resitant wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.58 uM	Growth inhibition against A2780 cisplatin resitant wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.68 uM	Growth inhibition against CH-1 wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.68 uM	Growth inhibition against CH-1 wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.72 uM	Growth inhibition against A2780 wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.72 uM	Growth inhibition against A2780 wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.8 uM	Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line)	ChEMBL.	15027879
IC50 (functional)	= 0.8 uM	Growth inhibition against CH-1 cisplatin resistant wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 0.8 uM	Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line)	ChEMBL.	15027879
IC50 (functional)	= 0.8 uM	Growth inhibition against CH-1 cisplatin resistant wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 1.2 uM	Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line)	ChEMBL.	15027879
IC50 (functional)	= 1.2 uM	Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line)	ChEMBL.	15027879
IC50 (functional)	= 3.3 uM	Growth inhibition against SKOV3 wild-type ovarian cell lines	ChEMBL.	15027879
IC50 (functional)	= 3.3 uM	Growth inhibition against SKOV3 wild-type ovarian cell lines	ChEMBL.	15027879

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15027879

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: CHEMBL52364
PubChem: 11154907

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 78509