Detailed information for compound 631528
Basic information
Technical information
- Name: Unnamed compound
- MW: 357.443 | Formula: C21H27NO4
-
H donors: 1
H acceptors: 2
LogP: 3.13
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CCCOC(=C1C(=NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)(C)C)C)O
- InChi: 1S/C21H27NO4/c1-6-9-25-20(24)17-13(3)22-14-10-21(4,5)11-15(23)18(14)19(17)16-8-7-12(2)26-16/h7-8,19,24H,6,9-11H2,1-5H3
- InChiKey: GKVZINZXBHUREY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
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 | hypothetical protein | 0.004 | 1 | 0.5 |
| Chlamydia trachomatis | acylglycerophosphoethanolamine acyltransferase | 0.002 | 0.0503 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0027 | 0.362 | 1 |
| Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0027 | 0.362 | 1 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0027 | 0.362 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.004 | 1 | 1 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0027 | 0.362 | 0.5 |
| Mycobacterium ulcerans | long-chain-fatty-acid-CoA ligase | 0.0027 | 0.362 | 1 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.004 | 1 | 0.5 |
| Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0027 | 0.362 | 1 |
| Mycobacterium ulcerans | long-chain fatty-acid CoA ligase | 0.0027 | 0.362 | 1 |
| Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0027 | 0.362 | 0.5 |
| Mycobacterium tuberculosis | Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) | 0.0027 | 0.362 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.004 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.004 | 1 | 1 |
| Plasmodium falciparum | acyl-CoA synthetase | 0.002 | 0.0503 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.004 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.362 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.362 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.362 | 1 |
| Mycobacterium leprae | PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) | 0.0027 | 0.362 | 0.5 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0027 | 0.362 | 0.5 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.004 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.004 | 1 | 1 |
| Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0027 | 0.362 | 1 |
| Mycobacterium tuberculosis | Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) | 0.002 | 0.0503 | 0.139 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0027 | 0.362 | 1 |
| Mycobacterium ulcerans | acyl-CoA synthetase | 0.0027 | 0.362 | 1 |
| Leishmania major | 4-coumarate:coa ligase-like protein | 0.0027 | 0.362 | 0.5 |
| Onchocerca volvulus | 0.0027 | 0.362 | 0.5 | |
| Plasmodium vivax | acyl-CoA synthetase, putative | 0.002 | 0.0503 | 0.5 |
Activities
No activities found for this compound.
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
- Search by Saint Jude
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.