Detailed information for compound 281030
Basic information
Technical information
- Name: Unnamed compound
- MW: 371.86 | Formula: C9H5Cl6NO2
-
H donors: 2
H acceptors: 2
LogP: 4.97
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cc(Cl)c(c(c1O)CNC(=O)C(Cl)(Cl)Cl)Cl
- InChi: 1S/C9H5Cl6NO2/c10-4-1-5(11)7(17)3(6(4)12)2-16-8(18)9(13,14)15/h1,17H,2H2,(H,16,18)
- InChiKey: HKTKTJUOGKRKSZ-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
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 |
|---|---|---|---|---|
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.0882 | 0.5 |
| Plasmodium vivax | S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative | 0.0111 | 0.3199 | 0.5 |
| Echinococcus granulosus | S adenosylmethionine decarboxylase proenzyme | 0.0228 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.0882 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.0882 | 0.5 |
| Echinococcus multilocularis | S adenosylmethionine decarboxylase proenzyme | 0.0228 | 1 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0071 | 0.0882 | 0.0882 |
| Brugia malayi | TAR-binding protein | 0.0071 | 0.0882 | 0.0882 |
| Leishmania major | S-adenosylmethionine decarboxylase | 0.0228 | 1 | 0.5 |
| Trypanosoma cruzi | S-adenosylmethionine decarboxylase proenzyme, putative | 0.0228 | 1 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0071 | 0.0882 | 0.0882 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0071 | 0.0882 | 0.0882 |
| Trypanosoma cruzi | S-adenosylmethionine decarboxylase proenzyme, putative | 0.0228 | 1 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0071 | 0.0882 | 0.0882 |
| Trypanosoma brucei | S-adenosylmethionine decarboxylase | 0.0228 | 1 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.0882 | 0.5 |
| Loa Loa (eye worm) | RNA binding protein | 0.0071 | 0.0882 | 0.0882 |
| Trypanosoma brucei | S-adenosylmethionine decarboxylase proenzyme, putative | 0.0228 | 1 | 0.5 |
| Plasmodium falciparum | S-adenosylmethionine decarboxylase/ornithine decarboxylase | 0.0111 | 0.3199 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.0882 | 0.5 |
| Trypanosoma brucei | S-adenosylmethionine decarboxylase | 0.0228 | 1 | 0.5 |
| Loa Loa (eye worm) | S-adenosylmethionine decarboxylase proenzyme | 0.0228 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Saluretic potency (ADMET) | = 0.2 u equiv | Saluretic property (excretion of Na+ in rat after PO dosing) | ChEMBL. | 7097728 |
| Saluretic potency (ADMET) | < 0.3 u equiv | Saluretic property (excretion of Na+ in rat) | ChEMBL. | 7097728 |
| Saluretic potency (ADMET) | = 250 u equiv min-1 | Saluretic property was estimated by the excretion of Na+ in dog administered intravenously; microequiv of Na+/min at 5 mg/kg iv stat, 250-399 | ChEMBL. | 7097728 |
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: CHEMBL351753
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.