Detailed information for compound 30122
Basic information
Technical information
Network
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Synonyms
- sulfamic acid phenyl ester
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | carbonic anhydrase IX | Starlite/ChEMBL | References |
| Homo sapiens | carbonic anhydrase II | Starlite/ChEMBL | References |
| Homo sapiens | EYA transcriptional coactivator and phosphatase 2 | Starlite/ChEMBL | No references |
| Candida albicans | Involved in protection against oxidative damage | Starlite/ChEMBL | References |
| Homo sapiens | carbonic anhydrase I | Starlite/ChEMBL | 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 |
|---|---|---|---|---|---|
| Brugia malayi | Carbonic anhydrase like protein 2 precursor | carbonic anhydrase II | 260 aa | 259 aa | 32.0 % |
| Trypanosoma brucei | carbonic anhydrase-like protein | carbonic anhydrase I | 261 aa | 281 aa | 25.3 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium ulcerans | carbonic anhydrase | 0.0275 | 1 | 1 |
| Loa Loa (eye worm) | carbonic anhydrase 3 | 0.0214 | 0.6097 | 0.5 |
| Echinococcus multilocularis | carbonic anhydrase II | 0.0214 | 0.6097 | 0.5 |
| Schistosoma mansoni | carbonic anhydrase | 0.0275 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0119 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0119 | 0 | 0.5 |
| Echinococcus granulosus | carbonic anhydrase II | 0.0214 | 0.6097 | 0.5 |
| Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0214 | 0.6097 | 0.5 |
| Brugia malayi | Putative carbonic anhydrase 5 precursor | 0.0214 | 0.6097 | 0.5 |
| Brugia malayi | Eukaryotic-type carbonic anhydrase family protein | 0.0214 | 0.6097 | 0.5 |
| Mycobacterium tuberculosis | Beta-carbonic anhydrase CanB | 0.0156 | 0.2381 | 1 |
| Trypanosoma brucei | carbonic anhydrase-like protein | 0.0214 | 0.6097 | 0.5 |
| Loa Loa (eye worm) | eukaryotic-type carbonic anhydrase | 0.0214 | 0.6097 | 0.5 |
| Mycobacterium leprae | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | 0.0275 | 1 | 0.5 |
| Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0214 | 0.6097 | 0.5 |
| Leishmania major | carbonic anhydrase family protein, putative | 0.0275 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | > 100000 uM | Inhibitory concentration against estrone sulfatase | ChEMBL. | 11294387 |
| IC50 (binding) | > 100000 uM | Inhibitory concentration against estrone sulfatase | ChEMBL. | 11294387 |
| IC50 (binding) | > 10000 uM l-1 | In vitro inhibition of estrone sulfatase. | ChEMBL. | 11965370 |
| IC50 (binding) | > 10000 uM l-1 | In vitro inhibition of estrone sulfatase. | ChEMBL. | 11965370 |
| Inhibition (binding) | = 29.7 % | In vitro inhibition of estrone sulfatase at 1 mM. | ChEMBL. | 11965370 |
| Inhibition (binding) | = 29.7 % | In vitro inhibition of estrone sulfatase at 1 mM. | ChEMBL. | 11965370 |
| Kd (binding) | = 110 nM | Binding affinity to human CA2 by ThermoFluor assay | ChEMBL. | 16759092 |
| Kd (binding) | = 110 nM | Binding affinity to human CA2 by ThermoFluor assay | ChEMBL. | 16759092 |
| Ki (binding) | Inhibition of recombinant human mitochondrial isozyme CA VA | ChEMBL. | 16203142 | |
| Ki (binding) | 0 | Inhibition of recombinant human mitochondrial isozyme CA VA | ChEMBL. | 16203142 |
| Ki (binding) | = 1.3 nM | Inhibition of human carbonic anhydrase II | ChEMBL. | 12747791 |
| Ki (binding) | = 1.3 nM | Inhibition of recombinant human cytosolic isozyme CA II | ChEMBL. | 16203142 |
| Ki (binding) | = 1.3 nM | Inhibition of human carbonic anhydrase II | ChEMBL. | 12747791 |
| Ki (binding) | = 1.3 nM | Inhibition of recombinant human cytosolic isozyme CA II | ChEMBL. | 16203142 |
| Ki (binding) | = 1.3 nM | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method | ChEMBL. | 22424239 |
| Ki (binding) | = 2.1 nM | Inhibition of human recombinant carbonic anhydrase I | ChEMBL. | 12747791 |
| Ki (binding) | = 2.1 nM | Inhibition of recombinant human cytosolic isozyme CA I | ChEMBL. | 16203142 |
| Ki (binding) | = 2.1 nM | Inhibition of human recombinant carbonic anhydrase I | ChEMBL. | 12747791 |
| Ki (binding) | = 2.1 nM | Inhibition of recombinant human cytosolic isozyme CA I | ChEMBL. | 16203142 |
| Ki (binding) | = 36 nM | Inhibition of human CA2 by carbon dioxide hydration | ChEMBL. | 16759092 |
| Ki (binding) | = 36 nM | Inhibition of human CA2 by carbon dioxide hydration | ChEMBL. | 16759092 |
| Ki (binding) | = 63 nM | Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX. | ChEMBL. | 12747791 |
| Ki (binding) | = 63 nM | Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX | ChEMBL. | 16203142 |
| Ki (binding) | = 63 nM | Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX. | ChEMBL. | 12747791 |
| Ki (binding) | = 63 nM | Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX | ChEMBL. | 16203142 |
| Ki (binding) | = 1975 nM | Inhibition of Candida albicans CaNce103 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method | ChEMBL. | 22424239 |
| Kinact (binding) | = 1.3 nM | Inhibition of human CA2 by stopped flow CO2 hydration assay | ChEMBL. | 19632111 |
| Kinact (binding) | = 2.1 nM | Inhibition of human CA1 by stopped flow CO2 hydration assay | ChEMBL. | 19632111 |
| Kinact (binding) | = 63 nM | Inhibition of tumor associated human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay | ChEMBL. | 19632111 |
| pKa | = 9.98 | Dissociation constant was determined | ChEMBL. | 11294387 |
| Potency (functional) | 0.0738 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Ratio (binding) | = 56 | Inhibition of tumor associated human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay | ChEMBL. | 19632111 |
| Relative potency (binding) | Potency of the compound for the inhibition of estrone sulfatase relative to coumate; ND is no data | ChEMBL. | 11294387 | |
| Relative potency (binding) | 0 | Potency of the compound for the inhibition of estrone sulfatase relative to coumate; ND is no data | ChEMBL. | 11294387 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
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: CHEMBL24259
- PubChem: 11030308
Bibliographic References
7 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.