Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1947)
Drug Name
Triiodo-l-thyronine
Synonyms
Reverse Tri-Iodothyronine; Triiodothyronine, reverse; (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid; (S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)propanoic acid; 3,3',5'-Triiodo-L-thyronine; 3,3',5'-Triiodothyronine; 5817-39-0; 3,3',5'-Triiodo-l-thyronine; REVERSE TRIIODOTHYRONINE; Reverse T3; 8NZ4Y08T96; CHEBI:11684; DSSTox_CID_26908; DSSTox_GSID_46908; DSSTox_RID_82006; L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-; Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-; UNII-8NZ4Y08T96
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 650.97 Topological Polar Surface Area 92.8
Heavy Atom Count 23 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
644280
ChEBI ID
CHEBI:11684
CAS Number
5817-39-0
Formula
C15H12I3NO4
Canonical SMILES
C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)I
InChI
1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m0/s1
InChIKey
HZCBWYNLGPIQRK-LBPRGKRZSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
3, 3'-T2 DM005501
65559
Unclear 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005914 Triiodo-l-thyronine 3,3'-diiodothyronine(T2) Unclear Unclear [3], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Sulfotransferase 1A1 (SULT1A1) DME0008 Km = 0.036 microM
ST1A1_HUMAN
[2]
References
1 Modified low-dose triiodo-L-thyronine therapy safely improves function following myocardial ischemia-reperfusion injury. Front Physiol. 2017 Apr 12;8:225.
2 Characterization of human liver thermostable phenol sulfotransferase (SULT1A1) allozymes with 3,3',5-triiodothyronine as the substrate. J Endocrinol. 2001 Dec;171(3):525-32.
3 Effects of Thyroxine (T4), 3,5,3'-triiodo-L-thyronine (T3) and their Metabolites on Osteoblast Differentiation
4 Biological effects of 3,5-diiodothyronine (T(2))

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