Detailed information for compound 35628
Basic information
Technical information
- TDR Targets ID: 35628
- Name: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthale ne-1-carboxamide
- MW: 274.401 | Formula: C17H26N2O
-
H donors: 1
H acceptors: 1
LogP: 3.34
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CCCN(C1CCc2c(C1)c(ccc2)C(=O)N)CCC
- InChi: 1S/C17H26N2O/c1-3-10-19(11-4-2)14-9-8-13-6-5-7-15(17(18)20)16(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3,(H2,18,20)
- InChiKey: QJUIHUWADATEMI-UHFFFAOYSA-N
Network
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Synonyms
- 3-(dipropylamino)tetralin-5-carboxamide
- 3-(dipropylamino)-5-tetralincarboxamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | Starlite/ChEMBL | 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 |
|---|---|---|---|---|
| Entamoeba histolytica | adenosine deaminase, putative | 0.0173 | 1 | 0.5 |
| Mycobacterium ulcerans | adenosine deaminase | 0.0173 | 1 | 0.5 |
| Onchocerca volvulus | Adenosine deaminase homolog | 0.0173 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.015 | 0.5878 | 0.5878 |
| Plasmodium vivax | adenosine deaminase, putative | 0.0173 | 1 | 0.5 |
| Mycobacterium leprae | Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) | 0.0173 | 1 | 0.5 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.0173 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.015 | 0.5878 | 0.5878 |
| Schistosoma mansoni | adenosine deaminase-related | 0.0173 | 1 | 1 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.0173 | 1 | 0.5 |
| Toxoplasma gondii | Adenosine/AMP deaminase domain-containing protein | 0.0173 | 1 | 0.5 |
| Toxoplasma gondii | Adenosine/AMP deaminase domain-containing protein | 0.0173 | 1 | 0.5 |
| Treponema pallidum | adenosine deaminase | 0.0173 | 1 | 0.5 |
| Echinococcus granulosus | adenosine deaminase | 0.0173 | 1 | 1 |
| Schistosoma mansoni | adenosine deaminase | 0.0173 | 1 | 1 |
| Leishmania major | adenine aminohydrolase | 0.0173 | 1 | 0.5 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.0173 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable adenosine deaminase Add (adenosine aminohydrolase) | 0.0173 | 1 | 0.5 |
| Echinococcus multilocularis | adenosine deaminase | 0.0173 | 1 | 1 |
| Plasmodium falciparum | adenosine deaminase | 0.0173 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0173 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Behavioral effect (functional) | = 4 | Induction of clear-cut 5-HT motor syndrome in reserpine (5 mg/Kg, sc) pretreated rats at the dose of 32 microM/Kg | ChEMBL. | 7506312 |
| Behavioral effect (functional) | = 4 | Induction of clear-cut 5-HT motor syndrome in reserpine (5 mg/Kg, sc) pretreated rats at the dose of 32 microM/Kg | ChEMBL. | 7506312 |
| Ki (binding) | = -8.22 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabelled [3H]-8-OH-DPAT ligand displacement | ChEMBL. | 8568799 |
| Ki (binding) | = 6 nM | Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand. | ChEMBL. | 7506312 |
| Ki (binding) | = 6 nM | Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand. | ChEMBL. | 7506312 |
| Log Ki (binding) | = 8.22 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabelled [3H]-8-OH-DPAT ligand displacement | ChEMBL. | 8568799 |
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: CHEMBL27313
- PubChem: 10355995
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.