Detailed information for compound 327154
Basic information
Technical information
- Name: Unnamed compound
- MW: 208.687 | Formula: C11H13ClN2
-
H donors: 1
H acceptors: 1
LogP: 2.02
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cn1)[C@@H]1CC2CC1NC2
- InChi: 1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2/t7?,9-,10?/m0/s1
- InChiKey: ISACHQOCISQFPP-ZAJCDATESA-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 |
|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Neuronal acetylcholine receptor protein alpha-7 subunit | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | fructose-1,6-bisphosphatase | 0.0306 | 0.2508 | 1 |
| Trypanosoma brucei | fructose-1,6-bisphosphatase | 0.0306 | 0.2508 | 0.5 |
| Treponema pallidum | amino acid ABC transporter, periplasmic binding protein | 0.0201 | 0.1105 | 0.5 |
| Chlamydia trachomatis | glutamine binding protein | 0.0201 | 0.1105 | 0.5 |
| Echinococcus multilocularis | Glutamate receptor, ionotropic kainate 3 | 0.0279 | 0.2156 | 0.2156 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.0269 | 0.2014 | 0.2014 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0306 | 0.2508 | 0.5 |
| Mycobacterium ulcerans | glutamine-binding lipoprotein GlnH | 0.0201 | 0.1105 | 0.5 |
| Schistosoma mansoni | fructose-16-bisphosphatase-related | 0.0306 | 0.2508 | 0.3034 |
| Brugia malayi | nicotinic acetylcholine receptor alpha subunit, putative | 0.0269 | 0.2014 | 0.699 |
| Onchocerca volvulus | Putative nachr subunit | 0.0269 | 0.2014 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.0269 | 0.2014 | 0.2014 |
| Echinococcus multilocularis | fructose 1,6 bisphosphatase 1 | 0.0306 | 0.2508 | 0.2508 |
| Echinococcus multilocularis | glutamate receptor NMDA | 0.0585 | 0.6253 | 0.6253 |
| Echinococcus multilocularis | nmda type glutamate receptor | 0.0625 | 0.6792 | 0.6792 |
| Loa Loa (eye worm) | hypothetical protein | 0.0183 | 0.0868 | 0.2696 |
| Toxoplasma gondii | fructose-bisphospatase II | 0.0306 | 0.2508 | 0.5 |
| Schistosoma mansoni | glutamate receptor NMDA | 0.0703 | 0.7844 | 1 |
| Trypanosoma cruzi | fructose-1,6-bisphosphatase, cytosolic, putative | 0.0306 | 0.2508 | 0.5 |
| Echinococcus granulosus | fructose 16 bisphosphatase 1 | 0.0306 | 0.2508 | 0.2508 |
| Schistosoma mansoni | nAChR subunit (ShAR1-beta-like) | 0.0183 | 0.0868 | 0.0893 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.0269 | 0.2014 | 0.2014 |
| Loa Loa (eye worm) | hypothetical protein | 0.0269 | 0.2014 | 0.7801 |
| Loa Loa (eye worm) | hypothetical protein | 0.0183 | 0.0868 | 0.2696 |
| Echinococcus granulosus | nmda type glutamate receptor | 0.0625 | 0.6792 | 0.6792 |
| Loa Loa (eye worm) | fructose-1,6-bisphosphatase | 0.0306 | 0.2508 | 1 |
| Echinococcus multilocularis | glutamate (NMDA) receptor subunit | 0.0132 | 0.0184 | 0.0184 |
| Echinococcus multilocularis | nmda type glutamate receptor | 0.0864 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.0269 | 0.2014 | 0.2014 |
| Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.0269 | 0.2014 | 0.2014 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.0269 | 0.2014 | 0.2014 |
| Schistosoma mansoni | nAChR subunit (ShAR1-alpha-like) | 0.0183 | 0.0868 | 0.0893 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.0269 | 0.2014 | 0.7801 |
| Echinococcus granulosus | glutamate receptor NMDA | 0.0585 | 0.6253 | 0.6253 |
| Leishmania major | 0.0306 | 0.2508 | 0.5 | |
| Chlamydia trachomatis | arginine ABC transporter substrate-binding protein ArtJ | 0.0201 | 0.1105 | 0.5 |
| Treponema pallidum | amino acid ABC transporter, periplasmic binding protein (hisJ) | 0.0201 | 0.1105 | 0.5 |
| Echinococcus granulosus | glutamate NMDA receptor subunit | 0.0132 | 0.0184 | 0.0184 |
| Mycobacterium tuberculosis | Probable glutamine-binding lipoprotein GlnH (GLNBP) | 0.0201 | 0.1105 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 0.03 nM | Inhibition of [3H]-cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes | ChEMBL. | No reference |
| Ki (binding) | = 0.03 nM | Inhibition of [3H]-cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes | ChEMBL. | No reference |
| Ki (binding) | = 0.04 nM | Inhibition of [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes | ChEMBL. | No reference |
| Ki (binding) | = 0.04 nM | Inhibition of [3H]-Nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes | ChEMBL. | No reference |
| Ki (binding) | = 3.9 nM | Inhibition of [3H]-BTX binding to Nicotinic acetylcholine receptor alpha7 of rat hippocampal membranes | ChEMBL. | No reference |
| Ki (binding) | = 3.9 nM | Inhibition of [3H]-BTX binding to Nicotinic acetylcholine receptor alpha7 of rat hippocampal membranes | 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: CHEMBL186302
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.