Detailed information for compound 1814762
Basic information
Technical information
- Name: Unnamed compound
- MW: 312.754 | Formula: C16H13ClN4O
-
H donors: 0
H acceptors: 3
LogP: 3.65
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cccc(c1)COc1ccc2c(c1)CCc1n2nnn1
- InChi: 1S/C16H13ClN4O/c17-13-3-1-2-11(8-13)10-22-14-5-6-15-12(9-14)4-7-16-18-19-20-21(15)16/h1-3,5-6,8-9H,4,7,10H2
- InChiKey: MJVNYGFSTSDYTL-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 |
|---|---|---|---|---|
| Echinococcus multilocularis | 5' AMP activated protein kinase subunit gamma | 0.0359 | 0.782 | 1 |
| Echinococcus granulosus | AMPK beta subunit | 0.0117 | 0.1437 | 0.1838 |
| Echinococcus granulosus | 5' AMP activated protein kinase subunit gamma | 0.0359 | 0.782 | 1 |
| Trypanosoma cruzi | SNF1-related protein kinase regulatory subunit beta, putative | 0.0117 | 0.1437 | 0.5 |
| Brugia malayi | EST embl|AI107989|AI107989 comes from the 3' UTR, putative | 0.0246 | 0.4842 | 0.3976 |
| Echinococcus multilocularis | 5' AMP activated protein kinase catalytic | 0.0246 | 0.4842 | 0.6192 |
| Toxoplasma gondii | 5'-AMP-activated protein kinase subunit beta-1 family protein, putative | 0.0069 | 0.0166 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0442 | 1 | 1 |
| Loa Loa (eye worm) | CAMK/CAMKL/AMPK protein kinase | 0.0246 | 0.4842 | 0.3976 |
| Leishmania major | hypothetical protein, conserved | 0.0117 | 0.1437 | 0.5 |
| Onchocerca volvulus | Alicorn homolog | 0.0103 | 0.1045 | 0.5 |
| Loa Loa (eye worm) | loechrig isoform VII | 0.0359 | 0.782 | 0.7454 |
| Giardia lamblia | 5-AMP-activated protein kinase, gamma-1 subunit | 0.0359 | 0.782 | 1 |
| Schistosoma mansoni | protein kinase subunit gamma | 0.0359 | 0.782 | 1 |
| Brugia malayi | loechrig isoform VII | 0.0359 | 0.782 | 0.7454 |
| Trypanosoma cruzi | 5'-AMP-activated protein kinase subunit beta, putative | 0.0117 | 0.1437 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.043 | 0.9691 | 0.964 |
| Echinococcus granulosus | 5' AMP activated protein kinase catalytic | 0.0246 | 0.4842 | 0.6192 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0246 | 0.4842 | 0.6192 |
| Echinococcus multilocularis | AMPK beta subunit | 0.0117 | 0.1437 | 0.1838 |
| Echinococcus multilocularis | 5' AMP activated protein kinase subunit gamma | 0.033 | 0.7053 | 0.9019 |
| Trypanosoma brucei | 5'-AMP-activated protein kinase subunit beta | 0.0117 | 0.1437 | 0.5 |
| Schistosoma mansoni | protein kinase subunit beta | 0.0117 | 0.1437 | 0.1838 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Time (functional) | = 20 s | Antidepressant activity in Mus musculus Kunming (mouse) assessed as decrease in immobility time at 40 mg/kg, po administered 30 min prior to testing measured for 6 min by tail suspension test (Rvb = 110.67 +/- 11.52 secs) | ChEMBL. | No reference |
| TIME (functional) | = 65.17 s | Antidepressant activity in Mus musculus Kunming (mouse) assessed as immobility time at 40 mg/kg, po administered 30 min prior to testing measured for 6 min by forced swimming test (Rvb = 177.67 +/- 10.88 secs) | 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: CHEMBL2238446
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.