Details of the Drug

General Information of Drug (ID: DMLC041)

• Drug Name: Cyclosal-d4TMP
• Synonyms: CycloSal-d4TMP; cycosal-d4TMP; CHEMBL375767; AC1LABYX; BDBM50206637; 5-methyl-1-[(2R,5S)-5-[(2-oxo-4H-1,3,2; 5-Methyl-1-{5-[(2-oxo(4H-benzo[e]1,3,2-dioxaphosphan-2-yloxy))methyl](2-2,5-dihydrofuryl)}-1,3-dihydropyrimidine-2,4-dione; 5-methyl-1-[(2R,5S)-5-[(2-oxo-4H-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione; 5-methyl-1-[(2R,5R)-5-(2-oxo-4H-2lambda5-benzo[1,3,2]dioxaphosphinin-2-yloxy)-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); 392.3
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H17N2O7P
  IUPAC Name: 5-methyl-1-[(2R,5S)-5-[(2-oxo-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=CC=CC=C4O3
  InChI: InChI=1S/C17H17N2O7P/c1-11-8-19(17(21)18-16(11)20)15-7-6-13(25-15)10-24-27(22)23-9-12-4-2-3-5-14(12)26-27/h2-8,13,15H,9-10H2,1H3,(H,18,20,21)/t13-,15+,27?/m0/s1
  InChIKey: NEUXRWCLDPVEMR-OHDXJBIGSA-N
• Cross-matching ID:
  PubChem CID: 465614
  TTD ID: D03OGO

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.