Details of the Drug

General Information of Drug (ID: DM0PQH1)

• Drug Name: 5'-S-ethyl-5'-thioadenosine
• Synonyms: 5'-S-ethyl-5'-thioadenosine; S-adenosylethane; 5'-ethylthioadenosine; CHEBI:74046; SCHEMBL998091; CHEMBL195660; 5'-Deoxy-5'-(ethylthio)adenosine; DB07052; (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(ethylsulfanyl)methyl]oxolane-3,4-diol

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 311.36
  Logarithm of the Partition Coefficient (xlogp); 0.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C12H17N5O3S
  IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
  Canonical SMILES: CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
  InChI: InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
  InChIKey: HMXHURAGFHWODC-WOUKDFQISA-N
• Cross-matching ID:
  PubChem CID: 10041129
  ChEBI ID: CHEBI:74046
  DrugBank ID: DB07052
  TTD ID: D0LM6A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosylhomocysteinase (AHCY)	TTE2KUJ	SAHH_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.