Detailed information for compound 68369

Basic information

Technical information
  • TDR Targets ID: 68369
  • Name: 1-[2-(2-hydroxyethylamino)ethylamino]-4-(2-mo rpholin-4-ylethylamino)anthracene-9,10-dione
  • MW: 438.519 | Formula: C24H30N4O4
  • H donors: 4 H acceptors: 3 LogP: 2.49 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NCCN1CCOCC1
  • InChi: 1S/C24H30N4O4/c29-14-10-25-7-8-26-19-5-6-20(27-9-11-28-12-15-32-16-13-28)22-21(19)23(30)17-3-1-2-4-18(17)24(22)31/h1-6,25-27,29H,7-16H2
  • InChiKey: STNRHJRWYBFSLU-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[2-(2-hydroxyethylamino)ethylamino]-4-(2-morpholinoethylamino)anthracene-9,10-dione
  • 1-[2-(2-hydroxyethylamino)ethylamino]-4-(2-morpholinoethylamino)-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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0446 0.1205 0.1262
Brugia malayi hypothetical protein 0.0304 0.0451 0.0451
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0623 0.2138 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.2027 0.9553 1
Echinococcus multilocularis presenilin 0.0623 0.2138 0.1853
Entamoeba histolytica presenilin 1 peptidase, putative 0.0623 0.2138 0.5
Brugia malayi gamma-secretase subunit aph-1 0.2027 0.9553 0.9553
Echinococcus granulosus presenilin enhancer 2 0.0585 0.1935 0.1631
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0623 0.2138 1
Trypanosoma cruzi Aph-1 protein, putative 0.079 0.3019 1
Brugia malayi Presenilin family protein 0.0623 0.2138 0.2138
Brugia malayi gamma-secretase subunit pen-2 0.0585 0.1935 0.1935
Trypanosoma brucei Aph-1 protein, putative 0.079 0.3019 1
Trypanosoma cruzi Aph-1 protein, putative 0.079 0.3019 1
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0623 0.2138 0.1853
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.077 0.2914 0.2706
Toxoplasma gondii hypothetical protein 0.0218 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0304 0.0451 0.0472
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.2027 0.9553 1
Loa Loa (eye worm) hypothetical protein 0.1664 0.7636 0.7993
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0623 0.2138 0.5
Echinococcus multilocularis presenilin enhancer 2 0.0585 0.1935 0.1631
Schistosoma mansoni gamma-secretase subunit aph-1 0.2027 0.9553 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0623 0.2138 1
Brugia malayi hypothetical protein 0.0304 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0894 0.3569 0.3736
Echinococcus granulosus presenilin 0.0623 0.2138 0.1853
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0585 0.1935 0.2026
Echinococcus granulosus gamma secretase subunit aph 1 0.2027 0.9553 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2.36 ug ml-1 Concentration required to inhibit the growth of L1210 leukemia cells ChEMBL. 2754697
ED50 (functional) = 2.36 ug ml-1 Concentration required to inhibit the growth of L1210 leukemia cells ChEMBL. 2754697
Survival (functional) = 6 Survivors of CDF1 mice on day 4 after 1st injection of compound 80 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 40 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 20 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 10 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 5 mg/kg in six mice; 6/6 ChEMBL. 2754697
T/C (functional) = 125 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 5 mg/kg ChEMBL. 2754697
T/C (functional) = 125 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 5 mg/kg ChEMBL. 2754697
T/C (functional) = 132 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 10 mg/kg ChEMBL. 2754697
T/C (functional) = 132 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 10 mg/kg ChEMBL. 2754697
T/C (functional) = 135 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 20 mg/kg ChEMBL. 2754697
T/C (functional) = 135 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 20 mg/kg ChEMBL. 2754697
T/C (functional) = 147 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 40 mg/kg ChEMBL. 2754697
T/C (functional) = 147 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 40 mg/kg ChEMBL. 2754697
T/C (functional) = 153 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 80 mg/kg ChEMBL. 2754697
T/C (functional) = 153 % Percent ratio of the medium survival time for P388 murine leukemia in CDF1 mice at 80 mg/kg ChEMBL. 2754697

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.
 
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

Bibliographic References

1 literature reference was collected for this gene.

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