Compound Detail
CHEMBL479789
IOTYROSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL479789 |
| Name | IOTYROSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQTZMGFTRHFAAM-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
307.1
MW (Da)
0.95
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine 3-monooxygenase CHEMBL2462 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Tyrosine 3-monooxygenase CHEMBL1969 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine 3-monooxygenase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of rat tyrosine hydroxylase | 20875743 |
| Tyrosine 3-monooxygenase | IC50 | = | 720.0 | nM | 6.14 | Inhibition of tyrosine hydroxylase | 18588282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27106710 | 10.1016/j.bmcl.2016.04.023 | Large neutral amino acids transporter small subunit 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 18588282 | 10.1021/jm701575k | Tyrosine 3-monooxygenase | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 20875743 | 10.1016/j.bmc.2010.07.034 | Tyrosine 3-monooxygenase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine