Detailed information for compound 42891
Basic information
Technical information
- TDR Targets ID: 42891
- Name: 1,2,3,4-tetrahydronaphthalen-2-amine
- MW: 147.217 | Formula: C10H13N
-
H donors: 1
H acceptors: 0
LogP: 1.7
Rotable bonds: 0
Rule of 5 violations (Lipinski): 1 - SMILES: NC1CCc2c(C1)cccc2
- InChi: 1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
- InChiKey: LCGFVWKNXLRFIF-UHFFFAOYSA-N
Network
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Synonyms
- tetralin-2-amine
- 2-tetralinamine
- tetralin-2-ylamine
- ST5437488
- 1,2,3,4-Tetrahydro-.beta.-naphthyamine
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Bos taurus | Phenylethanolamine N-methyltransferase | Starlite/ChEMBL | References |
| Rattus norvegicus | Serotonin (5-HT) receptor | Starlite/ChEMBL | References |
| Rattus norvegicus | Serotonin 2b (5-HT2b) receptor | Starlite/ChEMBL | References |
| Rattus norvegicus | Serotonin 2 (5-HT2) receptor | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | conserved hypothetical protein | Get druggable targets OG5_144688 | All targets in OG5_144688 |
| Echinococcus granulosus | hypothetical protein | Get druggable targets OG5_144688 | All targets in OG5_144688 |
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0333 | 0.357 | 1 |
| Brugia malayi | Matrixin family protein | 0.0121 | 0.0892 | 0.2498 |
| Schistosoma mansoni | matrix metallopeptidase-9 (M10 family) | 0.0119 | 0.0865 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0333 | 0.357 | 1 |
| Onchocerca volvulus | Matrix metalloproteinase homolog | 0.0111 | 0.0766 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0071 | 0.0263 | 0.3039 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 0.0137 | 0.0384 |
| Onchocerca volvulus | Matrilysin homolog | 0.0111 | 0.0766 | 1 |
| Brugia malayi | Matrix metalloprotease, N-terminal domain containing protein | 0.0061 | 0.0137 | 0.0384 |
| Mycobacterium ulcerans | hydrolase | 0.0061 | 0.0137 | 0.5 |
| Loa Loa (eye worm) | matrixin family protein | 0.0121 | 0.0892 | 0.2498 |
| Mycobacterium leprae | PROBABLE HYDROLASE | 0.0061 | 0.0137 | 0.5 |
| Brugia malayi | NNMT/PNMT/TEMT family protein | 0.0333 | 0.357 | 1 |
| Mycobacterium tuberculosis | Probable peptidoglycan hydrolase | 0.0061 | 0.0137 | 0.5 |
| Loa Loa (eye worm) | matrixin family protein | 0.0111 | 0.0766 | 0.2145 |
| Brugia malayi | Hemopexin family protein | 0.0071 | 0.0263 | 0.0736 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0833 | 0.9867 | 1 |
| Onchocerca volvulus | 0.0071 | 0.0263 | 0.3431 | |
| Loa Loa (eye worm) | NNMT/PNMT/TEMT family protein | 0.0333 | 0.357 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | Ability to stimulate mice at dose of 8 mg/kg; Slight increase in spontaneous motor activity | ChEMBL. | 6123601 | |
| Activity (functional) | 0 | Ability to stimulate mice at dose of 8 mg/kg; Slight increase in spontaneous motor activity | ChEMBL. | 6123601 |
| Activity (binding) | = -0.7 % | Agonist activity at Wistar rat striatum dopamine transporter assessed as tritium efflux by measuring [3H]dopamine release at 2 uM after 20 mins by liquid scintillation counting analysis relative to total tissue content | ChEMBL. | 29125 |
| Activity (binding) | = -0.3 % | Agonist activity at Wistar rat cortex dopamine transporter assessed as tritium efflux by measuring [3H]noradrenaline release at 2 uM after 20 mins by liquid scintillation counting analysis relative to total tissue content | ChEMBL. | 29125 |
| EC50 (functional) | > 0.00003 M | Alpha-1 adrenergic receptor agonist activity in rabbit ear artery | ChEMBL. | 6118438 |
| EC50 (functional) | > 0.00003 M | Alpha-1 adrenergic receptor agonist activity in rabbit ear artery | ChEMBL. | 6118438 |
| EC50 (functional) | > 3 M | Alpha-1 adrenergic receptor activation causing vasoconstriction in the isolated rabbit ear artery | ChEMBL. | 6120238 |
| Kb (binding) | nM | Dissociation constant for Alpha1-adrenergic receptor was determined before and after addition of phentolamine; Not available | ChEMBL. | 6120238 |
| KB (functional) | 0 nM | Phentolamine dissociation constant of the compound was evaluated in rabbit ear artery; Not available | ChEMBL. | 6118438 |
| KB (binding) | 0 nM | Dissociation constant for Alpha1-adrenergic receptor was determined before and after addition of phentolamine; Not available | ChEMBL. | 6120238 |
| Kd (binding) | = 5.61 | The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus | ChEMBL. | 7086824 |
| Kd (binding) | = 5.61 | Affinity for 5-hydroxytryptamine receptor was determined using male Dawley rat fundus preparation | ChEMBL. | 7069716 |
| Ki (binding) | = 4.4 | Inhibition of urokinase | ChEMBL. | 19385614 |
| Ki (binding) | = 380 nM | Displacement of [3H]-5-HT from 5-hydroxytryptamine 1 receptor of rat cortical membrane homogenates | ChEMBL. | 3783595 |
| Ki (binding) | = 11100 nM | Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates | ChEMBL. | 3783595 |
| Ki (binding) | = 11100 nM | Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates | ChEMBL. | 3783595 |
| Ki (binding) | = 4.1 uM | In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyltransferase (PNMT) | ChEMBL. | 3172133 |
| Ki (binding) | = 6.8 uM | In vitro inhibitory activity against bovine phenylethanolamine N-methyltransferase | ChEMBL. | 2913308 |
| Ki (binding) | = 6.8 uM | In vitro inhibitory activity against bovine phenylethanolamine N-methyltransferase | ChEMBL. | 2913308 |
| Ki (binding) | = 10 uM | In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyltransferase (PNMT) | ChEMBL. | 3172133 |
| Ki (binding) | = 15 uM | Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay | ChEMBL. | 3681889 |
| Ki (binding) | = 15 uM | Binding affinity of the compound to phenylethanolamine N-methyltransferase(PNMT) in bovine | ChEMBL. | 3336016 |
| Ki (binding) | = 15 uM | Inhibition of phenylethanolamine N-methyltransferase (PNMT) | ChEMBL. | 3339613 |
| Ki (binding) | = 15 uM | Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay | ChEMBL. | 3681889 |
| Ki (binding) | = 15 uM | Binding affinity of the compound to phenylethanolamine N-methyltransferase(PNMT) in bovine | ChEMBL. | 3336016 |
| Ki (binding) | = 15 uM | Inhibition of phenylethanolamine N-methyltransferase (PNMT) | ChEMBL. | 3339613 |
| pA2 (binding) | = 5.61 | The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus | ChEMBL. | 7086824 |
| pA2 (binding) | = 5.61 | Affinity for 5-hydroxytryptamine receptor was determined using male Dawley rat fundus preparation | ChEMBL. | 7069716 |
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: CHEMBL30294
- PubChem: 34677
Bibliographic References
12 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.