Detailed information for compound 55247
Basic information
Technical information
- TDR Targets ID: 55247
- Name: 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-6-N ,6-N-dimethylpyrazine-2,6-diamine
- MW: 255.664 | Formula: C8H10ClN7O
-
H donors: 2
H acceptors: 4
LogP: 0.42
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Nc1noc(n1)c1nc(Cl)c(nc1N)N(C)C
- InChi: 1S/C8H10ClN7O/c1-16(2)6-4(9)12-3(5(10)13-6)7-14-8(11)15-17-7/h1-2H3,(H2,10,13)(H2,11,15)
- InChiKey: BOGXMMNLVXIRCE-UHFFFAOYSA-N
Network
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Synonyms
- 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-N6,N6-dimethyl-pyrazine-2,6-diamine
- 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-N6,N6-dimethylpyrazine-2,6-diamine
- 3-(3-azanyl-1,2,4-oxadiazol-5-yl)-5-chloro-N6,N6-dimethyl-pyrazine-2,6-diamine
- [6-amino-5-(3-amino-1,2,4-oxadiazol-5-yl)-3-chloro-pyrazin-2-yl]-dimethyl-amine
- 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-N',N'-dimethylpyrazine-2,6-diamine
- 3-(3-amino-1,2,4-oxadiazol-5-yl)-5-chloro-N',N'-dimethyl-pyrazine-2,6-diamine
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.014 | 1 | 0.5 |
| Mycobacterium ulcerans | protease II (oligopeptidase B), PtrB | 0.0056 | 0 | 0.5 |
| Trypanosoma brucei | prolyl endopeptidase | 0.014 | 1 | 1 |
| Leishmania major | prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative | 0.014 | 1 | 1 |
| Mycobacterium leprae | PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) | 0.0056 | 0 | 0.5 |
| Onchocerca volvulus | Prolyl endopeptidase homolog | 0.014 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable protease II PtrBa [first part] (oligopeptidase B) | 0.0125 | 0.8259 | 1 |
| Trypanosoma cruzi | prolyl endopeptidase | 0.014 | 1 | 1 |
| Echinococcus multilocularis | prolyl endopeptidase | 0.014 | 1 | 0.5 |
| Schistosoma mansoni | prolyl oligopeptidase (S09 family) | 0.014 | 1 | 0.5 |
| Toxoplasma gondii | prolyl endopeptidase | 0.014 | 1 | 0.5 |
| Schistosoma mansoni | prolyl oligopeptidase (S09 family) | 0.014 | 1 | 0.5 |
| Echinococcus granulosus | prolyl endopeptidase | 0.014 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Diuretic effect (functional) | = 0.6 | Urine volumes was determined at time period of 0-5 hours for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 0.6 | Diuretic activity in mongrel dog was determined by the ability to induce electrolytic excretion (K+) at a time period of 0-5 hr after administration of 4 mg/kg dose. | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 1 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-5 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 1 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-5 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 2 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-5 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 2 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-5 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 3 | Urine volumes was determined at time period of 0-5 hours for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 3 | Diuretic activity in mongrel dog was determined by the ability of compound to induce electrolytic excretion (CL-) at a time period of 0-5 hr after administration of 4 mg/kg dose. | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 7.2 | Urine volumes was determined at time period of 0-5 hours for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 7.2 | Diuretic activity in mongrel dog was determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-5 hr after administration of 4 mg/kg dose. | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 40 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-5 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 48 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-5 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 53 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-24 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 57 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-5 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 63 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-5 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 64 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-5 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 82 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-24 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 83 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-24 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 88 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-5 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 97 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (K+) at a time period of 0-24 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 107 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-5 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 108 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-5 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 170 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-24 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 200 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-24 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 202 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-24 hr for dose 3 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 258 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-24 hr for dose 9 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 267 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-24 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 270 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Cl-) at a time period of 0-24 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 341 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-24 hr for dose 27 mg/kg | ChEMBL. | 3735322 |
| Diuretic effect (functional) | = 352 | Compound was evaluated for diuretic activity determined by the ability to induce electrolytic excretion (Na+) at a time period of 0-24 hr for dose 81 mg/kg | ChEMBL. | 3735322 |
| Urine volume (functional) | = 28 ml | Urine volumes in Sprague-Dawley rats was determined at time period of 0-5 hours at 3 mg/kg | ChEMBL. | 3735322 |
| Urine volume (functional) | = 30 ml | Urine volumes in Sprague-Dawley rats was determined at time period of 0-5 hours at 81 mg/kg | ChEMBL. | 3735322 |
| Urine volume (functional) | = 31 ml | Urine volumes in Sprague-Dawley rats was determined at time period of 0-5 hours at 27 mg/kg | ChEMBL. | 3735322 |
| Urine volume (functional) | = 32 ml | Urine volumes was determined in Sprague-Dawley rats was determined at time period of 0-5 hours at 9 mg/kg | ChEMBL. | 3735322 |
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: CHEMBL38137
- PubChem: 12799320
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.