Iotyrosine
AlkaPlorer ID: AK021147
Synonym: None
IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
Structure
SMILES: N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O
InChI: InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKey: UQTZMGFTRHFAAM-ZETCQYMHSA-N
Reference
A community-driven global reconstruction of human metabolism
PubChem CID: 172981
CAS: 70-78-0
LOTUS: LTS0133688
NPASS: NPC239697
Source
Properties Information
Molecule Weight: 307.087
TPSA？: 83.55
MolLogP？: 0.9512
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bloom syndrome protein | Potency | 2.8 | nM | None |
| Homo sapiens | Formyl peptide receptor 1 | Ki | 66700.0 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 19952.6 | nM | None |
| Homo sapiens | L-type amino acid transporter 1 | Activity | 2.4 | fmol/min | 10.1016/j.bmcl.2016.04.023 |
| Homo sapiens | L-type amino acid transporter 1 | Inhibition | 77.0 | % | 10.1016/j.bmcl.2016.04.023 |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 16833.6 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 501.2 | nM | None |
| Homo sapiens | Tyrosine 3-hydroxylase | IC50 | 720.0 | nM | 10.1021/jm701575k |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 1337.1 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 17782.8 | nM | None |
| Rattus norvegicus | Tyrosine 3-hydroxylase | IC50 | 1.4 | nM | 10.1016/j.bmc.2010.07.034 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.01 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.09 | % | 10.6019/CHEMBL4495565 |
| None | Unchecked | AC50 | 420000.0 | nM | None |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Potency | 4610.9 | nM | None |
| None | Unchecked | Potency | 39810.7 | nM | None |