Detailed information for compound 1792754
Basic information
Technical information
- TDR Targets ID: 1792754
- Name: 1,4-bis(3-chlorophenyl)piperazine-2,5-dione
- MW: 335.185 | Formula: C16H12Cl2N2O2
-
H donors: 0
H acceptors: 2
LogP: 3.43
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cccc(c1)N1CC(=O)N(CC1=O)c1cccc(c1)Cl
- InChi: 1S/C16H12Cl2N2O2/c17-11-3-1-5-13(7-11)19-9-16(22)20(10-15(19)21)14-6-2-4-12(18)8-14/h1-8H,9-10H2
- InChiKey: GYLIDVNJBCMQSV-UHFFFAOYSA-N
Network
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Synonyms
- 1,4-bis(3-chlorophenyl)piperazine-2,5-quinone
- STK180250
- ZINC04705204
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 |
|---|---|---|---|---|
| Schistosoma mansoni | protein kinase | 0.0701 | 1 | 0.5 |
| Toxoplasma gondii | CMGC kinase, CK2 family | 0.0701 | 1 | 0.5 |
| Trypanosoma brucei | Casein kinase II | 0.0701 | 1 | 1 |
| Echinococcus multilocularis | casein kinase ii subunit alpha | 0.0701 | 1 | 0.5 |
| Loa Loa (eye worm) | CMGC/CK2 protein kinase | 0.0701 | 1 | 1 |
| Trypanosoma cruzi | casein kinase II, putative | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Echinococcus granulosus | casein kinase ii subunit alpha | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Entamoeba histolytica | casein kinase, putative | 0.0701 | 1 | 0.5 |
| Onchocerca volvulus | 0.0695 | 0.99 | 0.5 | |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0701 | 1 | 0.5 |
| Plasmodium falciparum | casein kinase 2, alpha subunit | 0.0701 | 1 | 0.5 |
| Leishmania major | casein kinase II, putative | 0.0701 | 1 | 0.5 |
| Giardia lamblia | Kinase, CMGC CK2 | 0.0701 | 1 | 0.5 |
| Plasmodium vivax | unspecified product | 0.0701 | 1 | 0.5 |
| Plasmodium vivax | casein kinase 2, alpha subunit, putative | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0701 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | Antileishmanial activity against amastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse peritoneal macrophages after 48 hr by Geimsa staining method | ChEMBL. | No reference | |
| Activity (functional) | = 67.97 % | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected in BALB/c mouse assessed as reduction in parasite burden in spleen at 4.5 mg/kg, i.p. administered 1 month post-infection 2 times per week for 30 days relative to control | ChEMBL. | No reference |
| Activity (functional) | = 69.73 % | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse assessed as reduction in parasite burden in liver at 4.5 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days relative to control | ChEMBL. | No reference |
| Activity (functional) | = 91.35 % | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected in BALB/c mouse assessed as reduction in parasite burden in spleen at 10 mg/kg, i.p. administered 1 month post-infection 2 times per week for 30 days relative to control | ChEMBL. | No reference |
| Activity (functional) | = 92.19 % | Antileishmanial activity against amastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse peritoneal macrophages at 10 ug/ml after 48 hr by Geimsa staining method relative to control | ChEMBL. | No reference |
| Activity (functional) | = 94.75 % | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected in BALB/c mouse assessed as reduction in parasite burden in liver at 10 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days relative to control | ChEMBL. | No reference |
| Activity (ADMET) | = 28 IU/L | Toxicity against BALB/c Mus musculus (mouse) assessed as SGPT level at 10 mg/kg, ip administered 2 times per week for 30 days (Rvb = 28 +/- 5 IU/l) | ChEMBL. | No reference |
| Activity (ADMET) | = 29 IU/L | Toxicity against BALB/c Mus musculus (mouse) assessed as SGPT level at 4 mg/kg, ip administered 2 times per week for 30 days (Rvb = 28 +/- 5 IU/l) | ChEMBL. | No reference |
| Activity (ADMET) | = 67 IU/L | Toxicity against BALB/c Mus musculus (mouse) assessed as SGOT level at 10 mg/kg, ip administered 2 times per week for 30 days (Rvb = 71 +/- 4 IU/l) | ChEMBL. | No reference |
| Activity (ADMET) | = 69 IU/L | Toxicity against BALB/c Mus musculus (mouse) assessed as SGOT level at 4 mg/kg, ip administered 2 times per week for 30 days (Rvb = 71 +/- 4 IU/l) | ChEMBL. | No reference |
| Activity (functional) | = 87 mg | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse assessed as spleen weight at 10 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days (Rvb = 509 +/- 25 mg) | ChEMBL. | No reference |
| Activity (functional) | = 89 mg | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse assessed as liver weight at 10 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days (Rvb = 1,746 +/- 56 mg) | ChEMBL. | No reference |
| Activity (functional) | = 155 mg | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse assessed as spleen weight at 4 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days (Rvb = 509 +/- 25 mg) | ChEMBL. | No reference |
| Activity (functional) | = 1134 mg | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse assessed as liver weight at 4 mg/kg, ip administered 1 month post-infection 2 times per week for 30 days (Rvb = 1,746 +/- 56 mg) | ChEMBL. | No reference |
| Activity (ADMET) | = 28 mg/dl | Toxicity against BALB/c Mus musculus (mouse) assessed as blood urea level at 4 mg/kg, ip administered 2 times per week for 30 days (Rvb = 29 +/- 6 mg/dl) | ChEMBL. | No reference |
| Activity (ADMET) | = 29 mg/dl | Toxicity against BALB/c Mus musculus (mouse) assessed as blood urea level at 10 mg/kg, ip administered 2 times per week for 30 days (Rvb = 29 +/- 6 mg/dl) | ChEMBL. | No reference |
| IC50 (functional) | = 0.53 ug ml-1 | Antileishmanial activity against amastigote form of Leishmania donovani MHOH/IN/1983/AG83 infected BALB/c mouse peritoneal macrophages after 48 hr by Geimsa staining method | ChEMBL. | No reference |
| IC50 (functional) | = 1 ug ml-1 | Antileishmanial activity against promastigote form of Leishmania donovani MHOH/IN/1983/AG83 after 2 hr by MTT assay | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Leishmania donovani | ChEMBL23 |
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.
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: CHEMBL2297292
Bibliographic References
No literature references available for this target.
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