Detailed information for compound 55371
Basic information
Technical information
- TDR Targets ID: 55371
- Name: 5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxad iazol-3-amine
- MW: 243.265 | Formula: C12H13N5O
-
H donors: 3
H acceptors: 2
LogP: 0.9
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: NCCc1c[nH]c2c1cc(cc2)c1onc(n1)N
- InChi: 1S/C12H13N5O/c13-4-3-8-6-15-10-2-1-7(5-9(8)10)11-16-12(14)17-18-11/h1-2,5-6,15H,3-4,13H2,(H2,14,17)
- InChiKey: AZPGZTOVCHWLMC-UHFFFAOYSA-N
Network
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Synonyms
- 5-[3-(2-azanylethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
- [5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]amine
- 2-[5-(3-amino-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethylamine
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Sus scrofa | Serotonin 1d (5-HT1d) receptor | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Schistosoma japonicum | 5-hydroxytryptamine receptor, putative | Get druggable targets OG5_133680 | All targets in OG5_133680 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_133680 | All targets in OG5_133680 |
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | adenosylhomocysteinase | 0.0774 | 1 | 1 |
| Trypanosoma brucei | S-adenosylhomocysteine hydrolase, putative | 0.0774 | 1 | 1 |
| Trypanosoma brucei | Protein arginine N-methyltransferase 1 catalytic subunit | 0.0047 | 0.0029 | 0.0029 |
| Mycobacterium leprae | putative S-adenosyl-L-homocysteine hydrolase SahH | 0.0774 | 1 | 1 |
| Plasmodium vivax | adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative | 0.0774 | 1 | 1 |
| Entamoeba histolytica | adenosylhomocysteinase, putative | 0.0774 | 1 | 1 |
| Treponema pallidum | adenosine deaminase | 0.0085 | 0.0556 | 0.5 |
| Trypanosoma cruzi | hypothetical protein | 0.0393 | 0.4781 | 0.4781 |
| Loa Loa (eye worm) | hypothetical protein | 0.0058 | 0.0175 | 0.0146 |
| Trichomonas vaginalis | adenosylhomocysteinase, putative | 0.0243 | 0.2717 | 0.2288 |
| Toxoplasma gondii | S-Adenosyl homocysteine hydrolase | 0.0774 | 1 | 1 |
| Schistosoma mansoni | adenosylhomocysteinase | 0.0479 | 0.5954 | 0.5939 |
| Brugia malayi | hypothetical protein | 0.0159 | 0.157 | 0.1546 |
| Loa Loa (eye worm) | adenosylhomocysteinase | 0.0774 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0058 | 0.0175 | 0.0146 |
| Loa Loa (eye worm) | hypoxia-induced factor 1 | 0.0147 | 0.1401 | 0.1376 |
| Echinococcus multilocularis | adenosylhomocysteinase | 0.0774 | 1 | 1 |
| Mycobacterium ulcerans | adenosine deaminase | 0.0085 | 0.0556 | 0.0556 |
| Schistosoma mansoni | adenosylhomocysteinase | 0.0774 | 1 | 1 |
| Brugia malayi | PAS domain containing protein | 0.0047 | 0.0036 | 0.0008 |
| Mycobacterium tuberculosis | Probable adenosine deaminase Add (adenosine aminohydrolase) | 0.0085 | 0.0556 | 0.0556 |
| Trypanosoma cruzi | S-adenosylhomocysteine hydrolase, putative | 0.0774 | 1 | 1 |
| Brugia malayi | hypoxia-induced factor 1 | 0.0147 | 0.1401 | 0.1376 |
| Trypanosoma cruzi | arginine N-methyltransferase, putative | 0.0047 | 0.0029 | 0.0029 |
| Loa Loa (eye worm) | hypothetical protein | 0.0058 | 0.0175 | 0.0146 |
| Mycobacterium ulcerans | S-adenosyl-L-homocysteine hydrolase | 0.0774 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.0556 | 0.0529 |
| Toxoplasma gondii | adenosylhomocysteinase, putative | 0.0774 | 1 | 1 |
| Schistosoma mansoni | adenosine deaminase-related | 0.0085 | 0.0556 | 0.0522 |
| Mycobacterium tuberculosis | Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) | 0.0774 | 1 | 1 |
| Brugia malayi | Adenosine/AMP deaminase family protein | 0.0085 | 0.0556 | 0.0529 |
| Leishmania major | adenine aminohydrolase | 0.0085 | 0.0556 | 0.0556 |
| Loa Loa (eye worm) | hypothetical protein | 0.0159 | 0.157 | 0.1546 |
| Schistosoma mansoni | adenosylhomocysteinase | 0.0479 | 0.5954 | 0.5939 |
| Loa Loa (eye worm) | hypothetical protein | 0.0318 | 0.3743 | 0.3725 |
| Plasmodium falciparum | adenosylhomocysteinase | 0.0774 | 1 | 1 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.0085 | 0.0556 | 0.0529 |
| Schistosoma mansoni | adenosylhomocysteinase | 0.0479 | 0.5954 | 0.5939 |
| Trichomonas vaginalis | adenosylhomocysteinase, putative | 0.0774 | 1 | 1 |
| Trichomonas vaginalis | adenosylhomocysteinase, putative | 0.0774 | 1 | 1 |
| Schistosoma mansoni | adenosine deaminase | 0.0085 | 0.0556 | 0.0522 |
| Trypanosoma cruzi | arginine N-methyltransferase, putative | 0.0047 | 0.0029 | 0.0029 |
| Schistosoma mansoni | adenosylhomocysteinase | 0.0479 | 0.5954 | 0.5939 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.0085 | 0.0556 | 0.0529 |
| Loa Loa (eye worm) | hypothetical protein | 0.0058 | 0.0175 | 0.0146 |
| Leishmania major | S-adenosylhomocysteine hydrolase | 0.0774 | 1 | 1 |
| Trypanosoma cruzi | S-adenosylhomocysteine hydrolase, putative | 0.0774 | 1 | 1 |
| Onchocerca volvulus | Adenosine deaminase homolog | 0.0085 | 0.0556 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 7.3 | Displacement of radioligand [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane | ChEMBL. | 8496922 |
| Log IC50 (binding) | = 7.3 | Displacement of radioligand [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane | ChEMBL. | 8496922 |
| logD (ADMET) | = -0.72 | Partition coefficient (logD7.4) | ChEMBL. | 8496922 |
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: CHEMBL289501
- PubChem: 10377118
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.