Detailed information for compound 1755767
Basic information
Technical information
- Name: Unnamed compound
- MW: 420.461 | Formula: C23H24N4O4
-
H donors: 1
H acceptors: 4
LogP: 2.51
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(N1CCCCC1c1onc(c1)C(=O)NCc1cccnc1)OCc1ccccc1
- InChi: 1S/C23H24N4O4/c28-22(25-15-18-9-6-11-24-14-18)19-13-21(31-26-19)20-10-4-5-12-27(20)23(29)30-16-17-7-2-1-3-8-17/h1-3,6-9,11,13-14,20H,4-5,10,12,15-16H2,(H,25,28)
- InChiKey: KLXHKELDMDIANJ-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | isocitrate dehydrogenase 1 (NADP+), soluble | Starlite/ChEMBL | No references |
| Homo sapiens | Rap guanine nucleotide exchange factor (GEF) 3 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.012 | 0.5066 | 0.5 |
| Schistosoma mansoni | DEAD box ATP-dependent RNA helicase | 0.012 | 0.5066 | 1 |
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.012 | 0.5066 | 0.5 |
| Echinococcus granulosus | eukaryotic initiation factor 4A | 0.012 | 0.5066 | 1 |
| Schistosoma mansoni | DEAD box ATP-dependent RNA helicase | 0.012 | 0.5066 | 1 |
| Trypanosoma cruzi | Eukaryotic initiation factor 4A-1 | 0.012 | 0.5066 | 1 |
| Treponema pallidum | ATP-dependent RNA helicase | 0.012 | 0.5066 | 0.5 |
| Brugia malayi | eukaryotic initiation factor 4A | 0.012 | 0.5066 | 0.5066 |
| Onchocerca volvulus | Rap guanine nucleotide exchange factor 1 homolog | 0.0218 | 1 | 1 |
| Leishmania major | eukaryotic initiation factor 4a, putative | 0.012 | 0.5066 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.012 | 0.5066 | 0.5066 |
| Leishmania major | eukaryotic initiation factor 4a, putative | 0.012 | 0.5066 | 1 |
| Echinococcus granulosus | eukaryotic initiation factor 4A III | 0.012 | 0.5066 | 1 |
| Echinococcus multilocularis | eukaryotic initiation factor 4A III | 0.012 | 0.5066 | 1 |
| Trypanosoma cruzi | Eukaryotic initiation factor 4A-1 | 0.012 | 0.5066 | 1 |
| Plasmodium vivax | RNA helicase-1, putative | 0.012 | 0.5066 | 1 |
| Toxoplasma gondii | eukaryotic initiation factor-4A, putative | 0.012 | 0.5066 | 1 |
| Trichomonas vaginalis | DEAD box ATP-dependent RNA helicase, putative | 0.012 | 0.5066 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0218 | 1 | 1 |
| Echinococcus multilocularis | eukaryotic initiation factor 4A | 0.012 | 0.5066 | 1 |
| Plasmodium falciparum | eukaryotic initiation factor 4A | 0.012 | 0.5066 | 1 |
| Giardia lamblia | Translation initiation factor eIF-4A, putative | 0.012 | 0.5066 | 0.5 |
| Trypanosoma brucei | Eukaryotic initiation factor 4A-1 | 0.012 | 0.5066 | 1 |
| Mycobacterium tuberculosis | Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) | 0.012 | 0.5066 | 1 |
| Entamoeba histolytica | DEAD/DEAH box helicase, putative | 0.012 | 0.5066 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.9093 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | 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: CHEMBL2357492
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.