Details of the Drug

General Information of Drug (ID: DMPCRSY)

• Drug Name: Detrothyronine
• Synonyms: DT-3; 3,5,3'-Triiodo-D-thyronine; CHEMBL557; UNII-46XII7C16X; 46XII7C16X; Detrothyronin; dt 3; 5714/8/9; Dextro-3:5:3'-triiodothyronine; Detrothyroninum; Detrotironina; D-Trijodthyronin; DEXTROTHYRONINE; Triiodothyronine, D-; Detrothyronine [INN]; AC1L2FR4; SCHEMBL8301; AC1Q5R0T; DT 3 (hormone) (VAN); Detrotironina [INN-Spanish]; Detrothyroninum [INN-Latin]; DT3 (VAN); D-3,5,3'-Triiodothyronine; CTK4G9296; (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid; SKF D 2623

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 650.97
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H12I3NO4
  IUPAC Name: (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
  Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@H](C(=O)O)N)I)I)O
  InChI: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m1/s1
  InChIKey: AUYYCJSJGJYCDS-GFCCVEGCSA-N
• Cross-matching ID:
  PubChem CID: 71212
  CAS Number: 5714-08-9
  TTD ID: D0I2GK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thyroid hormone receptor alpha (THRA)	TTTSEPU	THA_HUMAN	Inhibitor	[1]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Inhibitor	[1]

References

• [1] Thyroid receptor ligands. Part 5: novel bicyclic agonist ligands selective for the thyroid hormone receptor beta. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1240-4.