Detailed information for compound 1546900
Basic information
Technical information
- Name: Unnamed compound
- MW: 412.355 | Formula: C15H20N6O8
-
H donors: 0
H acceptors: 6
LogP: 2.66
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: [O-]/[N+](=N\Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/N1CCN(CC1)C(=O)OC(C)(C)C
- InChi: 1S/C15H20N6O8/c1-15(2,3)28-14(22)17-6-8-18(9-7-17)21(27)16-29-13-5-4-11(19(23)24)10-12(13)20(25)26/h4-5,10H,6-9H2,1-3H3/b21-16-
- InChiKey: ZRUCZZBKQMVVJB-PGMHBOJBSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) | Starlite/ChEMBL | No references |
| Homo sapiens | synuclein, alpha (non A4 component of amyloid precursor) | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Plasmodium falciparum | heat shock protein 70 | heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) | 654 aa | 613 aa | 51.9 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | 0.0002 | 0.5 | 0.5 | |
| Echinococcus granulosus | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Plasmodium falciparum | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Loa Loa (eye worm) | heat shock 70kDa protein 5 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | 3'partial|5'partial|heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein 70kD, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | 0.0002 | 0.5 | 0.5 | |
| Echinococcus multilocularis | heat shock 70 kDa protein 1 | 0.0002 | 0.5 | 0.5 |
| Plasmodium falciparum | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 71 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 related | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 related | 0.0002 | 0.5 | 0.5 |
| Giardia lamblia | Cytosolic HSP70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein kDa heat shock kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein kDa heat shock kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | 0.0002 | 0.5 | 0.5 | |
| Entamoeba histolytica | heat shock protein70, hsp70A2, putative | 0.0002 | 0.5 | 0.5 |
| Trypanosoma brucei | luminal binding protein 1 (BiP), putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trypanosoma cruzi | heat shock protein 70 (hsp70), putative | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Trypanosoma brucei | luminal binding protein 1 (BiP), putative | 0.0002 | 0.5 | 0.5 |
| Leishmania major | heat-shock protein hsp70, putative | 0.0002 | 0.5 | 0.5 |
| Schistosoma mansoni | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | 70 kDa heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein 70 (HSP70)-4, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein70, hsp70A2, putative | 0.0002 | 0.5 | 0.5 |
| Leishmania major | glucose-regulated protein 78, putative | 0.0002 | 0.5 | 0.5 |
| Leishmania major | heat shock protein 70-related protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 71 kDa protein | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70 family | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Leishmania major | heat-shock protein hsp70, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Brugia malayi | heat shock 70 kDa protein C precursor | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Toxoplasma gondii | chaperonin protein BiP | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 related | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat Shock protein family member hsp 3 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70, putative | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Toxoplasma gondii | heat shock protein HSP70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Plasmodium vivax | heat shock protein 70, putative | 0.0002 | 0.5 | 0.5 |
| Trypanosoma brucei | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein70, hsp70A2, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein kDa | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock kda protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock 70 kda protein 1a | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Schistosoma mansoni | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
| Trypanosoma brucei | heat shock protein 70 (hsp70), putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein 70kD, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Onchocerca volvulus | 0.0002 | 0.5 | 0.5 | |
| Trypanosoma brucei | heat shock 70 kDa protein, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 71 kDa protein | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | microsomal stress 70 protein ATPase core precursor, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70b | 0.0002 | 0.5 | 0.5 |
| Trypanosoma cruzi | heat shock protein 70 (hsp70), putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70 family | 0.0002 | 0.5 | 0.5 |
| Plasmodium falciparum | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Schistosoma mansoni | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein70, hsp70A2, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat Shock protein family member (hsp 3) | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 71 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock kda protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein 70 (HSP70)-4, putative | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein 70 (HSP70)-4, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Plasmodium vivax | heat shock 70 kDa protein, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | Heat shock 70 kDa protein 4 | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70b | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Trypanosoma cruzi | glucose-regulated protein 78, putative | 0.0002 | 0.5 | 0.5 |
| Giardia lamblia | Bip | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | Heat shock 70 kDa protein | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock 70 kDa protein 1A:1B | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Echinococcus multilocularis | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Entamoeba histolytica | heat shock protein 70, putative | 0.0002 | 0.5 | 0.5 |
| Echinococcus granulosus | heat shock protein 70 | 0.0002 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0002 | 0.5 | 0.5 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0002 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
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.
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: CHEMBL1878193
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.