Detailed information for compound 542835
Basic information
Technical information
- TDR Targets ID: 542835
- Name: sodium (4-carboxylatophenyl)mercury hydrate
- MW: 362.708 | Formula: C7H7HgNaO3
-
H donors: 1
H acceptors: 3
LogP: 1.47
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: [O-]C(=O)c1ccc(cc1)[Hg].[NaH+].O
- InChi: 1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;;+1;/p-1
- InChiKey: BERBQUNVJGVZCX-UHFFFAOYSA-M
Network
Hover on a compound node to display the structore
Synonyms
- sodium (4-carboxyphenyl)mercury hydroxide
- 4-hydroxymercuribenzoate
- p-Chloromercuribenzoic Acid
- 138-85-2
- 17689-59-7
- to_000057
- p-Chloromercuribenzoate
- SGCUT00231
- 4-(Hydroxymercuri)benzoic acid sodium salt
- 55540_FLUKA
- Sodium 4-(hydroxymercurio)benzoate
- p-Hydroxymercuribenzoic acid sodium salt
- (4-Carboxylatophenyl)hydroxymercurate(1-) sodium
- AI3-62333
- EINECS 205-340-5
- MERCURY, (p-CARBOXYPHENYL)HYDROXY-, SODIUM SALT
- Mercurate(1-), (4-carboxylatophenyl)hydroxy-, sodium
- Mercury, (4-carboxyphenyl)hydroxy-, monosodium salt
- Mercury, (p-carboxyphenyl)hydroxy-, monosodium salt (8CI)
- NSC 1048
- Sodium (4-carboxylatophenyl)hydroxymercurate(1-)
- Sodium 4-(hydroxymercuri)benzoic acid
- Sodium 4-hydroxymercuriobenzoate
- Sodium p-chloromercuribenzoate
- Sodium p-hydroxy mercury benzoate
- Sodium p-hydroxymercuribenzoate
- PCMB
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Plasmodium falciparum | lysophospholipase, putative | Curated by TDR Targets | References |
| Plasmodium falciparum | lysophospholipase, putative | Curated by TDR Targets | References |
| Plasmodium falciparum | esterase, putative | Curated by TDR Targets | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Plasmodium falciparum | lysophospholipase, putative | esterase, putative | 373 aa | 405 aa | 51.6 % |
| Plasmodium falciparum | lysophospholipase, putative | lysophospholipase, putative | 353 aa | 379 aa | 44.3 % |
| Plasmodium falciparum | lysophospholipase, putative | lysophospholipase, putative | 371 aa | 380 aa | 41.0 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0049 | 0.2049 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0045 | 0.1802 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0049 | 0.2049 | 1 |
| Plasmodium falciparum | esterase, putative | 0.0178 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0045 | 0.1802 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0049 | 0.2049 | 1 |
| Mycobacterium leprae | POSSIBLE LYSOPHOSPHOLIPASE | 0.0173 | 0.9738 | 0.5 |
| Mycobacterium ulcerans | lysophospholipase | 0.0173 | 0.9738 | 0.5 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0045 | 0.1802 | 0.8794 |
| Plasmodium falciparum | esterase, putative | 0.0178 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.0178 | 1 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0045 | 0.1802 | 1 |
| Plasmodium vivax | lysophospholipase, putative | 0.0178 | 1 | 1 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0173 | 0.9738 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0033 | 0.1101 | 0.5371 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0045 | 0.1802 | 1 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0045 | 0.1802 | 1 |
| Toxoplasma gondii | hypothetical protein | 0.0178 | 1 | 0.5 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0045 | 0.1802 | 0.8794 |
| Schistosoma mansoni | hypothetical protein | 0.0033 | 0.1101 | 0.6108 |
| Trypanosoma brucei | monoglyceride lipase, putative | 0.0173 | 0.9738 | 0.5 |
| Mycobacterium tuberculosis | Possible lysophospholipase | 0.0173 | 0.9738 | 0.5 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0045 | 0.1802 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.2049 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0178 | 1 | 1 |
| Leishmania major | monoglyceride lipase, putative | 0.0173 | 0.9738 | 0.5 |
| Trypanosoma cruzi | monoglyceride lipase, putative | 0.0173 | 0.9738 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0173 | 0.9738 | 0.5 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0045 | 0.1802 | 1 |
| Plasmodium falciparum | lysophospholipase, putative | 0.0178 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.1101 | 0.5371 |
Activities
No activities found for this compound.
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:
| Affected Entity | Phenotypic quality | Occurs in | Occurs at | Evidence | Observed in | Targets |
|---|---|---|---|---|---|---|
| growth (GO:0040007) | lethal (sensu genetics) (PATO:0000718) | multi-cellular organism (CARO:0000012) | bloodstream stage (PLO:0040) | in vivo inhibition (TDR:00016) | Plasmodium falciparum | 2350 |
| Annotator: | saralph@unimelb.edu.au | Comment: | 012/Mar/09 | References: | 8022653 | |
| growth (GO:0040007) | lethal (sensu genetics) (PATO:0000718) | multi-cellular organism (CARO:0000012) | bloodstream stage (PLO:0040) | in vivo inhibition (TDR:00016) | Plasmodium falciparum | 3067 |
| Annotator: | saralph@unimelb.edu.au | Comment: | 012/Mar/09 | References: | 8022653 | |
| growth (GO:0040007) | lethal (sensu genetics) (PATO:0000718) | multi-cellular organism (CARO:0000012) | bloodstream stage (PLO:0040) | in vivo inhibition (TDR:00016) | Plasmodium falciparum | 3068 |
| Annotator: | saralph@unimelb.edu.au | Comment: | 012/Mar/09 | References: | 8022653 | |
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
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.