Details of the Drug

General Information of Drug (ID: DM3LM6B)

• Drug Name: 3-phenyl-cyclosal-d4TMP
• Synonyms: CHEMBL221156; 3-phenyl-cyclosal-d4TMP; AC1LAXDT; BDBM50206640; 5-methyl-1-[(2R,5S)-5-[(2-oxo-8-phenyl-4H-1,3,2; 5-Methyl-1-[(2R,5S)-5-(2-oxo-8-phenyl-4H-2.lambda. 5-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-1H-pyrimidine-2,4-dione; 5-Methyl-1-[(2R,5S)-5-(2-oxo-8-phenyl-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-1H-pyrimidine-2,4-dione

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); 468.4
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H21N2O7P
  IUPAC Name: 5-methyl-1-[(2R,5S)-5-[(2-oxo-8-phenyl-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
  Canonical SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C(=CC=C4)C5=CC=CC=C5
  InChI: InChI=1S/C23H21N2O7P/c1-15-12-25(23(27)24-22(15)26)20-11-10-18(31-20)14-30-33(28)29-13-17-8-5-9-19(21(17)32-33)16-6-3-2-4-7-16/h2-12,18,20H,13-14H2,1H3,(H,24,26,27)/t18-,20+,33?/m0/s1
  InChIKey: OQMPUIYQXGGVDT-GQODUDPDSA-N
• Cross-matching ID:
  PubChem CID: 497286
  TTD ID: D0X7CW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

References

• [1] Bis-cycloSal-d4T-monophosphates: drugs that deliver two molecules of bioactive nucleotides. J Med Chem. 2007 Mar 22;50(6):1335-46.