Detailed information for compound 70970

Basic information

Technical information
  • TDR Targets ID: 70970
  • Name: 1,4-bis[2-(2-hydroxyethylamino)ethylamino]ant hracene-9,10-dione
  • MW: 412.482 | Formula: C22H28N4O4
  • H donors: 6 H acceptors: 4 LogP: 1.71 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCNCCO
  • InChi: 1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2
  • InChiKey: FFGSXKJJVBXWCY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone
  • ametantrone
  • 9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-
  • NSC196473
  • Anthracenedione deriv.
  • 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-9,10-anthracenedione
  • 1,4-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)anthraquinone
  • 1,4-Bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione
  • 9,10-ANTHRACENEDIONE, 1,4-BIS((2-((2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-
  • 9,10-Anthracenedione, 1,4-bis((2-(2-(hydroxyethyl)amino)ethyl)amino)- (9CI)
  • Ametantrona [INN-Spanish]
  • Ametantronum [INN-Latin]
  • Anthraquinone, 1,4-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-
  • BRN 2791800
  • NSC 196473

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
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human liver MAOB ChEMBL. 18834112
Activity (binding) Inhibition of human liver MAOA ChEMBL. 18834112
Activity (functional) = 0.75 units ml-1 Activity of NADH dehydrogenase was determined ChEMBL. 8421288
deltaTm (binding) = 21.4 degrees C Binding affinity to calf thymus DNA assessed as thermal denaturation temperature at 20 uM ChEMBL. 17962028
EC50 (functional) = 0.21 g ml-1 Effective concentration against inhibition of L1210 mouse leukemia cells in tissue culture ChEMBL. 1995874
EC50 (functional) = 0.21 g ml-1 Effective concentration against inhibition of L1210 mouse leukemia cells in tissue culture ChEMBL. 1995874
EC50 (functional) = 275 nM Concentration of compound required to inhibit the cellular protein biosynthesis by 50% ChEMBL. 8421288
EC50 (functional) = 275 nM Concentration of compound required to inhibit the cellular protein biosynthesis by 50% ChEMBL. 8421288
EC50 (functional) = 0.17 ug ml-1 Effective concentration of the compound required to inhibit by 50% the growth of HeLa S3 cells ChEMBL. 3172129
EC50 (functional) = 0.17 ug ml-1 Effective concentration of the compound required to inhibit by 50% the growth of HeLa S3 cells ChEMBL. 3172129
EC50 (functional) = 1.77 ug ml-1 Effective concentration of the compound required to inhibit by 50% the growth of L1210 cells ChEMBL. 3172129
EC50 (functional) = 1.77 ug ml-1 Effective concentration of the compound required to inhibit by 50% the growth of L1210 cells ChEMBL. 3172129
ED50 (functional) = 0.1 mM Effective concentration against cell growth of L1210 cell line by 50% ChEMBL. 8759632
ED50 (functional) = 0.1 mM Effective concentration against cell growth of L1210 cell line by 50% ChEMBL. 8759632
ED50 (functional) = 0.88 mM Effective concentration against cell growth of HL60 cell line by 50% ChEMBL. 8759632
ED50 (functional) = 0.88 mM Effective concentration against cell growth of HL60 cell line by 50% ChEMBL. 8759632
ED50 (functional) = 3.1 mM Effective concentration against cell growth of HeLa cell line by 50% ChEMBL. 8759632
ED50 (functional) = 3.1 mM Effective concentration against cell growth of HeLa cell line by 50% ChEMBL. 8759632
ED50 (functional) = 2.54 ug ml-1 Concentration required to inhibit the growth of L1210 leukemia cells ChEMBL. 2754697
ED50 (functional) = 2.54 ug ml-1 Concentration required to inhibit the growth of L1210 leukemia cells ChEMBL. 2754697
GI50 (functional) = 29 nM Cytotoxicity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 17962028
GI50 (functional) = 29 nM Cytotoxicity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 17962028
GI50 (functional) = 430 nM Cytotoxicity against DNA topoisomerase2 deficient human HL60/MX2 cells by MTT assay ChEMBL. 17962028
GI50 (functional) = 2.45 uM Cytotoxicity against human SF268 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 2.45 uM Cytotoxicity against human SF268 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 2.55 uM Cytotoxicity against human NCI-H460 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 2.55 uM Cytotoxicity against human NCI-H460 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 4.97 uM Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 4.97 uM Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 8.52 uM Cytotoxicity against human PC3 cells after 48 hrs by SRB assay ChEMBL. 17962028
GI50 (functional) = 8.52 uM Cytotoxicity against human PC3 cells after 48 hrs by SRB assay ChEMBL. 17962028
IC10 (functional) = 114 Concentration of substrate at which the amount of total cytochrome c reduction is decreased by 10% ChEMBL. 8421288
IC50 (functional) = 0.00000058 M Inibitiory activity against human colon adenocarcinoma cell line LoVo. ChEMBL. 7853345
IC50 (functional) = 0.000092 M Inibitiory activity against human colon adenocarcinoma cell line LoVo/Dx. ChEMBL. 7853345
IC50 (functional) = 5.8 M Inibitiory activity against human colon adenocarcinoma cell line LoVo. ChEMBL. 7853345
IC50 (functional) = 9.2 M Inibitiory activity against human colon adenocarcinoma cell line LoVo/Dx. ChEMBL. 7853345
IC50 (functional) = 282.5 ng ml-1 Inhibition of cellular growth was evaluated invitro against human colon carcinoma LOVO. ChEMBL. 1875336
IC50 (functional) = 282.5 ng ml-1 Inhibition of cellular growth was evaluated invitro against human colon carcinoma LOVO. ChEMBL. 1875336
IC50 (functional) = 44765 ng ml-1 Inhibition of cellular growth was evaluated invitro against human colon carcinoma subline resistant to DOXO (LOVO/DOXO). ChEMBL. 1875336
IC50 (functional) = 44765 ng ml-1 Inhibition of cellular growth was evaluated invitro against human colon carcinoma subline resistant to DOXO (LOVO/DOXO). ChEMBL. 1875336
IC50 (functional) = 15.9 nM Compound was tested in vitro for cytotoxicity against HL60 human leukemia cell line (72 h exposure to compound) ChEMBL. 10479282
IC50 (functional) = 146 nM Compound was tested in vitro for cytotoxicity against L1210 murine cell line (48 h exposure to compound) ChEMBL. 10479282
IC50 (functional) = 180 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line A2780 ChEMBL. 10479282
IC50 (functional) = 181 nM Compound was tested in vitro for cytotoxicity against MDR cell line K562R (72 h exposure to compound) ChEMBL. 10479282
IC50 (functional) = 641 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line LoVo ChEMBL. 10479282
IC50 (functional) = 1020 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line DU145 ChEMBL. 10479282
IC50 (functional) = 1108 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line A2780/Dx(RI) ChEMBL. 10479282
IC50 (functional) = 1848 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line PC3 ChEMBL. 10479282
IC50 (functional) = 12392 nM Compound was tested in vitro for cytotoxicity against MDR cell line K562R (RI) (72 h exposure to compound) ChEMBL. 10479282
IC50 (functional) = 36802 nM In vitro Cytotoxic activity of compound in comparison with reference compounds in human cell line LoVo/DX(RI) ChEMBL. 10479282
IC50 (functional) = 0.03 ug ml-1 Tested in vitro for inhibitory activity against L1210 murine leukemia ChEMBL. 8145234
IC50 (functional) = 0.03 ug ml-1 Tested in vitro for inhibitory activity against L1210 murine leukemia ChEMBL. 8145234
IC50 (functional) = 0.17 ug ml-1 In vitro cytotoxicity against HeLa S3 cell lines ChEMBL. 2213837
IC50 (functional) = 0.17 ug ml-1 In vitro cytotoxicity against HeLa S3 cell lines ChEMBL. 2213837
IC50 (functional) = 0.4 ug ml-1 Tested in vitro for cytotoxic activity against Human colon Adenocarcinoma sensitive cell line (LoVo) ChEMBL. 8145234
IC50 (functional) = 0.4 ug ml-1 Tested in vitro for cytotoxic activity against Human colon Adenocarcinoma sensitive cell line (LoVo) ChEMBL. 8145234
IC50 (functional) = 1.77 ug ml-1 In vitro inhibitory activity against murine L1210 leukemia ChEMBL. 1732555
IC50 (functional) = 1.77 ug ml-1 In vitro inhibitory activity against murine L1210 leukemia ChEMBL. 1732555
IC50 (functional) = 34.7 ug ml-1 Tested in vitro for cytotoxic activity against Doxorubicin resistant Human colon Adenocarcinoma sensitive cell line ChEMBL. 8145234
IC50 (functional) = 34.7 ug ml-1 Tested in vitro for cytotoxic activity against Doxorubicin resistant Human colon Adenocarcinoma sensitive cell line ChEMBL. 8145234
IC50 (functional) = 3.65 uM In vitro inhibitory activity against murine L1210 leukemia ChEMBL. 1732555
IC50 (functional) = 3.65 uM In vitro inhibitory activity against murine L1210 leukemia ChEMBL. 1732555
ID50 (functional) < 0.01 ug ml-1 The compound was tested for its antitumor activity against L1210 cells ChEMBL. 1875336
ILS (functional) = 154 % Antitumor activity against mouse P388 cells allografted in mouse assessed as increase of median life span at 25 mg/kg, ip on day 1, 5 and 9 measured up to 60 days relative to control ChEMBL. 490545
Inhibition (functional) = 6 % Cytotoxicity against human SF268 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
Inhibition (functional) = 6 % Cytotoxicity against human SF268 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
Inhibition (functional) = 22 % Cytotoxicity against human NCI-H460 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
Inhibition (functional) = 22 % Cytotoxicity against human NCI-H460 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
Inhibition (functional) = 34 % Cytotoxicity against human MCF7 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
Inhibition (functional) = 34 % Cytotoxicity against human MCF7 cells at 4 ug/ml after 48 hrs by SRB assay ChEMBL. 17962028
K x10e-5 (functional) = 3.4 M-1 Intrinsic Binding constant of compound to DNA at pH 7 and 25 centigrade ChEMBL. 8759632
Ki (binding) = 0.0034 M-1 Ki value was measured for the binding of compound to DNA in ETN. ChEMBL. 7853345
LD (binding) = -0.13 dichroism data of the compound for visible band in the compound to DNA in ETN. ChEMBL. 7853345
LD10 (ADMET) = 58 mg kg-1 day-1 The compound was tested for antitumor activity against P388 murine leukemia by measuring maximum tolerated dose ChEMBL. 8145234
LD10 (ADMET) = 58 mg kg-1 day-1 The compound was tested for antitumor activity against P388 murine leukemia by measuring maximum tolerated dose ChEMBL. 8145234
Log Kd (binding) 0 DNA binding dissociation constant as KD; No data ChEMBL. 6708048
n (ADMET) = 2.7 Exclusion parameter (base pairs ChEMBL. 8759632
NADH oxidation (functional) = 28.9 uM min-1 The capacity of the compound to stimulate NADH oxidation was determined. ChEMBL. 1995874
Optimal dose (functional) = 12.5 mg kg-1 injection-1 Antineoplastic activity was evaluated in vivo against murine leukemia P388 (i.p./i.p.; days 1-5) and optimum dose was reported ChEMBL. 1732555
Optimal dose (functional) = 12.5 mg kg-1 injection-1 Antineoplastic activity was evaluated in vivo against murine leukemia P388 (i.p./i.p.; days 1-5) and optimum dose was reported ChEMBL. 1732555
Ratio (functional) = 87 Resistance index is the ratio of IC50 of resistant cell line/IC50 of sensitive cell line ChEMBL. 8145234
Ratio (functional) = 169 It is the ratio of IC50 for LOVO tumor cell line to that of LOVO/DOXO cell line. ChEMBL. 1875336
RatioGI50 (functional) = 15 Ratio of GI50 for human HL60/MX2 cells to GI50 for human HL60 cells ChEMBL. 17962028
RI (functional) = 158.6 Resistance index of the compound as the ratio of IC50 value against LoVo/Dx to that of LoVo cell lines. ChEMBL. 7853345
Survival (functional) = 6 Survivor recorded on day 4 after day of first injection as a measure of drug toxicity(dose 25 mg/kg); 6/6 ChEMBL. 3172129
Survival (functional) = 6 Survivor recorded on day 4 after day of first injection as a measure of drug toxicity(dose 12.5 mg/kg); 6/6 ChEMBL. 3172129
Survival (functional) = 6 Survivor recorded on day 4 after day of first injection as a measure of drug toxicity(dose 6.25 mg/kg); 6/6 ChEMBL. 3172129
Survival (functional) = 6 Survivor recorded on day 4 after day of first injection as a measure of drug toxicity(dose 3.12 mg/kg); 6/6 ChEMBL. 3172129
Survival (functional) = 6 Survivors of CDF1 mice on day 4 after 1st injection of compound 25 at mg/kg in six mice; 6/6 ChEMBL. 2754697
Survival (functional) = 6 Survivors of CDF1 mice on day 4 after 1st injection of compound at 12.5 mg/kg in six mice; 6/6 ChEMBL. 2754697
Survival (functional) = 6 Survivors of CDF1 mice on day 4 after 1st injection of compound at 6.25 mg/kg in six mice; 6/6 ChEMBL. 2754697
Survival (functional) = 6 Survivors of CDF1 mice on day 4 after 1st injection of compound at 3.12 mg/kg in six mice; 6/6 ChEMBL. 2754697
T/C (functional) = 81 % Antitumor activity against mouse P388 cells allografted in BDF1 mouse assessed as increase in survival time at 32 mg/kg administered 24 hrs post challenge relative to control ChEMBL. 628005
T/C (functional) = 127 % Tested for antitumor activity against P388 murine leukemia ChEMBL. 8145234
T/C (functional) = 127 % Tested for antitumor activity against P388 murine leukemia ChEMBL. 8145234
T/C (functional) = 132 % Antineoplastic activity against mouse Colon 26 cells allografted in CDF1 mouse at 2 mg/kg qd for 9 days relative to control ChEMBL. 458801
T/C (functional) = 146 % T/C in % was determined against L1210 murine leukemia cells at a dose of 50 x3 mg/kg ; 60 - day survivors =1/6 ChEMBL. 2391703
T/C (functional) = 146 % T/C in % was determined against L1210 murine leukemia cells at a dose of 50 x3 mg/kg ; 60 - day survivors =1/6 ChEMBL. 2391703
T/C (functional) = 146 % At 50 mg/kg dose CDF1 mice were injected ip on (1,5,9) days after tumor transplantation to evaluate mean survival time ChEMBL. 1875336
T/C (functional) = 177 % T/C in % was determined against L1210 murine leukemia cells at a dose of 12.5 x3 mg/kg ChEMBL. 2391703
T/C (functional) = 177 % T/C in % was determined against L1210 murine leukemia cells at a dose of 12.5 x3 mg/kg ChEMBL. 2391703
T/C (functional) = 177 % At 12.5 mg/kg dose CDF1 mice were injected ip on (1,5,9) days after tumor transplantation to evaluate mean survival time ChEMBL. 1875336
T/C (functional) = 190 % Ratio of medium survival time exoressed as percent of untreated controls(dose 3.12 mg/kg) ChEMBL. 3172129
T/C (functional) = 190 % ratio of medium survival time of the treated to the control mice at the dose of 3.12 (mg/kg) ChEMBL. 8421288
T/C (functional) = 190 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 3.12 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 190 % Ratio of medium survival time exoressed as percent of untreated controls(dose 3.12 mg/kg) ChEMBL. 3172129
T/C (functional) = 190 % ratio of medium survival time of the treated to the control mice at the dose of 3.12 (mg/kg) ChEMBL. 8421288
T/C (functional) = 190 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 3.12 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 200 % Ratio of medium survival time exoressed as percent of untreated controls(dose 25 mg/kg) ChEMBL. 3172129
T/C (functional) = 200 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 25 mg/kg ChEMBL. 2754697
T/C (functional) = 200 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 3.12 mg/kg ChEMBL. 2754697
T/C (functional) = 200 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 25 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 200 % Ratio of medium survival time exoressed as percent of untreated controls(dose 25 mg/kg) ChEMBL. 3172129
T/C (functional) = 200 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 25 mg/kg ChEMBL. 2754697
T/C (functional) = 200 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 3.12 mg/kg ChEMBL. 2754697
T/C (functional) = 200 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 25 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 203 % T/C in % was determined against L1210 murine leukemia cells at a dose of 25 x3 mg/kg ; 60 - day survivors =1/6 ChEMBL. 2391703
T/C (functional) = 203 % T/C in % was determined against L1210 murine leukemia cells at a dose of 25 x3 mg/kg ; 60 - day survivors =1/6 ChEMBL. 2391703
T/C (functional) = 210 % Ratio of medium survival time exoressed as percent of untreated controls(dose 6.25 mg/kg) ChEMBL. 3172129
T/C (functional) = 210 % ratio of medium survival time of the treated to the control mice at the dose of 6.25 (mg/kg) ChEMBL. 8421288
T/C (functional) = 210 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 6.25 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 210 % Ratio of medium survival time exoressed as percent of untreated controls(dose 6.25 mg/kg) ChEMBL. 3172129
T/C (functional) = 210 % ratio of medium survival time of the treated to the control mice at the dose of 6.25 (mg/kg) ChEMBL. 8421288
T/C (functional) = 210 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 6.25 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 240 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 6.25 mg/kg ChEMBL. 2754697
T/C (functional) = 240 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 6.25 mg/kg ChEMBL. 2754697
T/C (functional) = 252 % At 25 mg/kg dose CDF1 mice were injected ip on (1,5,9) days after tumor transplantation to evaluate mean survival time ChEMBL. 1875336
T/C (functional) = 300 % Ratio of medium survival time exoressed as percent of untreated controls(dose 12.5 mg/kg) ChEMBL. 3172129
T/C (functional) = 300 % ratio of medium survival time of the treated to the control mice at the dose of 12.50 (mg/kg) ChEMBL. 8421288
T/C (functional) = 300 % In vivo antileukemic activity against P388 leukemia at dose 12.5 mp/kg administered intraperitoneally (30 days survivors, 3/6) ChEMBL. 2213837
T/C (functional) = 300 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 12.5 mg/kg ChEMBL. 2754697
T/C (functional) = 300 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 12.5 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 300 % In vivo % T/C activity was measured against P388 leukemia ChEMBL. 1732555
T/C (functional) = 300 % Ratio of medium survival time exoressed as percent of untreated controls(dose 12.5 mg/kg) ChEMBL. 3172129
T/C (functional) = 300 % ratio of medium survival time of the treated to the control mice at the dose of 12.50 (mg/kg) ChEMBL. 8421288
T/C (functional) = 300 % In vivo antileukemic activity against P388 leukemia at dose 12.5 mp/kg administered intraperitoneally (30 days survivors, 3/6) ChEMBL. 2213837
T/C (functional) = 300 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 12.5 mg/kg ChEMBL. 2754697
T/C (functional) = 300 % In vivo inhibitory activity against P388 murine leukemia cells and the ratio of medium survival time expressed as percent of untreated controls (%T/C) at dose of 12.5 mg/kg (6/6*) ChEMBL. 1995874
T/C (functional) = 300 % In vivo % T/C activity was measured against P388 leukemia ChEMBL. 1732555
ToxD/Surv (functional) = 6 Ratio of toxic deaths/survivors 7 days after the day 5 injection as a measure of drug toxicity at the dose of 3.12 (mg/kg) ChEMBL. 8421288
ToxD/Surv (functional) = 6 Ratio of toxic deaths/survivors 7 days after the day 5 injection as a measure of drug toxicity at the dose of 6.25 (mg/kg) ChEMBL. 8421288
ToxD/Surv (functional) = 6 Ratio of toxic deaths/survivors 7 days after the day 5 injection as a measure of drug toxicity at the dose of 12.50 (mg/kg) ChEMBL. 8421288
uM/min (functional) = 8.8 NADH oxidation by the compound was determined ChEMBL. 8421288
Units/ml (functional) = 0.75 Activity of NADH dehydrogenase was determined ChEMBL. 8421288

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 10479282
Homo sapiens ChEMBL23 10479282

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

Bibliographic References

14 literature references were collected for this gene.

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