3,5-Diiodothyronine; (S)-form
AlkaPlorer ID: AK296488
Synonym: L-form
IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
Structure
SMILES: NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(=O)O
InChI: InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)
InChIKey: ZHSOTLOTTDYIIK-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 525.0800000000002
TPSA？: 92.78000000000002
MolLogP？: 3.3481000000000014
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Thyroxine-binding globulin | log(%) | -1.155 | None | 10.1021/jm00217a001 |
| Homo sapiens | Thyroxine-binding globulin | RBA | 0.07 | % | 10.1021/jm00217a001 |
| Homo sapiens | Transthyretin | Ka(T4) | 0.3 | % | 10.1021/jm00349a004 |
| Rattus norvegicus | Rattus norvegicus | Activity | 0.81 | % | 10.1021/jm00217a001 |
| Rattus norvegicus | Rattus norvegicus | log(%) | -0.092 | None | 10.1021/jm00217a001 |
| None | Unchecked | log(%) | -1.086 | None | 10.1021/jm00217a001 |
| None | Unchecked | log(%) | -0.523 | None | 10.1021/jm00217a001 |
| None | Unchecked | log(activity) | -0.43 | None | 10.1021/jm00227a003 |
| None | Unchecked | RBA | 0.082 | % | 10.1021/jm00217a001 |
| None | Unchecked | RBA | 0.3 | % | 10.1021/jm00217a001 |