Detailed information for compound 81693
Basic information
Technical information
Network
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Synonyms
- 4-hydroxyphenylethanol
- 501-94-0
- C06044
- 188255_ALDRICH
- 79058_FLUKA
- Tyrosol
- 2-(4-Hydroxyphenyl)ethanol
- 2-(P-HYDROXYPHENYL)ETHANOL
- 4-Hydroxybenzeneethanol
- 4-Hydroxyphenethyl alcohol
- EINECS 207-930-8
- NSC 59876
- Benzeneethanol, 4-hydroxy-
- NSC59876
- P-HYDROXYPHENETHYL ALCOHOL
- CHEBI:1879
- SB 01196
- 56105_FLUKA
- InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H
- ZINC00164581
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mycobacterium tuberculosis | Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) | References | |
| Homo sapiens | carbonic anhydrase II | Starlite/ChEMBL | References |
| Mycobacterium tuberculosis | Beta-carbonic anhydrase | References | |
| Candida albicans | Involved in protection against oxidative damage | Starlite/ChEMBL | References |
| Cryptococcus neoformans var. grubii | Carbonic anhydrase 2 | Starlite/ChEMBL | References |
| Homo sapiens | glutaminase | Starlite/ChEMBL | No 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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Mycobacterium tuberculosis | Beta-carbonic anhydrase CanB | 0.0312 | 0.0537 | 0.031 |
| Mycobacterium tuberculosis | Beta-carbonic anhydrase | 0.1175 | 0.7572 | 1 |
| Leishmania major | carbonic anhydrase family protein, putative | 0.061 | 0.2965 | 0.5 |
| Entamoeba histolytica | carbonic anhydrase, putative | 0.061 | 0.2965 | 0.5 |
| Loa Loa (eye worm) | glutaminase | 0.033 | 0.0681 | 0.5 |
| Mycobacterium ulcerans | carbonic anhydrase | 0.061 | 0.2965 | 0.2451 |
| Loa Loa (eye worm) | glutaminase 2 | 0.033 | 0.0681 | 0.5 |
| Onchocerca volvulus | 0.0247 | 0 | 0.5 | |
| Mycobacterium leprae | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | 0.061 | 0.2965 | 1 |
| Onchocerca volvulus | Putative sulfate transporter | 0.0247 | 0 | 0.5 |
| Brugia malayi | glutaminase DH11.1 | 0.033 | 0.0681 | 0.5 |
| Mycobacterium tuberculosis | Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) | 0.0583 | 0.274 | 0.3344 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.1472 | 1 | 1 |
| Schistosoma mansoni | carbonic anhydrase | 0.061 | 0.2965 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.1472 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | Toxicity against Saccharomyces cerevisiae by disc diffusion method | ChEMBL. | 18636777 | |
| Cytotoxicity (functional) | = 905 uM | Tested in vitro for cytotoxicity against MM96L cell line in human melanoma | ChEMBL. | No reference |
| Cytotoxicity (functional) | = 905 uM | Tested in vitro for cytotoxicity against MM96L cell line in human melanoma | ChEMBL. | No reference |
| Cytotoxicity (functional) | = 1420 uM | Tested in vitro for cytotoxicity against He La cell line in human cervical carcinoma | ChEMBL. | No reference |
| Cytotoxicity (functional) | = 1420 uM | Tested in vitro for cytotoxicity against He La cell line in human cervical carcinoma | ChEMBL. | No reference |
| FC (binding) | = 75 | Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay relative to phenol | ChEMBL. | 21332115 |
| IC50 (binding) | > 20 uM | Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus expression system using Tyr peptide-6 substrate incubated for 1 hr in presence of ATP by Z-Lyte assay | ChEMBL. | 27258622 |
| IC50 (functional) | > 100 uM | Cytotoxicity against human MDA-MB-231 cells after 24 hrs by MTT assay | ChEMBL. | 23403296 |
| IC50 (functional) | > 100 uM | Antiproliferative activity against human MDA-MB-231 cells expressing c-MET assessed as inhibition of HGF-induced cell growth incubated for 72 hrs by MTT assay | ChEMBL. | 27258622 |
| Inhibition (binding) | = 0 % | Inhibition of c-MET phosphorylation (unknown origin) at 25 uM after 1 hr by Z'-LYTE kinase assay | ChEMBL. | 23403296 |
| Inhibition (binding) | = 14.31 % | Inhibition of diphenolase activity of mushroom tyrosinase using L-dopa as substrate at 0.5 mM by spectrophotometric assay | ChEMBL. | 25913862 |
| Inhibition (binding) | = 18.28 % | Inhibition of diphenolase activity of mushroom tyrosinase using L-dopa as substrate at 1.5 mM by spectrophotometric assay | ChEMBL. | 25913862 |
| Inhibition (binding) | = 18.73 % | Inhibition of diphenolase activity of mushroom tyrosinase using L-dopa as substrate at 1 mM by spectrophotometric assay | ChEMBL. | 25913862 |
| Inhibition (binding) | = 20 % | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated at 10 uM for 10 mins before substrate addition measured after 10 mins by HPLC analysis | ChEMBL. | 24568174 |
| Ki (binding) | = 0.85 uM | Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Ki (binding) | = 1.08 uM | Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Ki (binding) | = 1.1 uM | Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Ki (binding) | = 8.7 uM | Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Ki (binding) | = 12.1 uM | Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Ki (binding) | = 430 uM | Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay | ChEMBL. | 21332115 |
| Kinact (binding) | = 101 nM | Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method | ChEMBL. | 19962903 |
| Kinact (binding) | = 105 nM | Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method | ChEMBL. | 19962903 |
| Kinact (binding) | = 8.7 uM | Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method | ChEMBL. | 19962903 |
| Kinact (binding) | = 430 uM | Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method | ChEMBL. | 19962903 |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) | ChEMBL. | No reference |
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
- Search by CAS
- ChEMBL: CHEMBL53566
- PubChem: 10393
Bibliographic References
5 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.