sobetirome   

GtoPdb Ligand ID: 2639

Synonyms: GC 1 compound | GC-1 | QRX-431
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 66.76
Molecular weight 328.17
XLogP 4.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)COc1cc(C)c(c(c1)C)Cc1ccc(c(c1)C(C)C)O
Isomeric SMILES OC(=O)COc1cc(C)c(c(c1)C)Cc1ccc(c(c1)C(C)C)O
InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChI Key QNAZTOHXCZPOSA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
International Nonproprietary Names
INN number INN
9089 sobetirome
Synonyms
GC 1 compound | GC-1 | QRX-431
Database Links
BindingDB Ligand 50115668
CAS Registry No. 211110-63-3 (source: Scifinder)
ChEMBL Ligand CHEMBL107400
DrugBank Ligand DB07425
GtoPdb PubChem SID 135650297
NURSA Ligand 10.1621/VTWFVH57FB
PubChem CID 9862248
RCSB PDB Ligand B72
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SynPHARM 6262 (in complex with Thyroid hormone receptor-α)
6266 (in complex with Thyroid hormone receptor-β)

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Tocris
GC 1
Cat. No. 4554