Details of the Drug

General Information of Drug (ID: DMRC8SO)

• Drug Name: 5-methyl-cyclosal-d4TMP
• Synonyms: CHEMBL223807; BDBM50206639; 5-methyl-cyclosal-d4TMP; 5-Methyl-1-[(2R,5S)-5-(6-methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-1H-pyrimidine-2,4-dione; 5-Me-CycloSal-d4TMP; AC1LABZ0; CHEMBL8458; BDBM50064051; 5-methyl-1-[(2R,5S)-5-[(6-methyl-2-oxo-4H-1,3,2; 5-Methyl-1-[5-(6-methyl-2-oxo-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); 406.3
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H19N2O7P
  IUPAC Name: 5-methyl-1-[(2R,5S)-5-[(6-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
  Canonical SMILES: CC1=CC2=C(C=C1)OP(=O)(OC2)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C
  InChI: InChI=1S/C18H19N2O7P/c1-11-3-5-15-13(7-11)9-24-28(23,27-15)25-10-14-4-6-16(26-14)20-8-12(2)17(21)19-18(20)22/h3-8,14,16H,9-10H2,1-2H3,(H,19,21,22)/t14-,16+,28?/m0/s1
  InChIKey: XCQZHNHBKUHUEJ-NIGMZYBYSA-N
• Cross-matching ID:
  PubChem CID: 465615
  TTD ID: D0P7TN

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.