Details of the Drug

General Information of Drug (ID: DM3FLMR)

• Drug Name: Azidothymidine monophosphate
• Synonyms: azidothymidine monophosphate; SCHEMBL17515060
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 363.223
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 10
• Chemical Identifiers:
  Formula: C10H14N5O8P
  IUPAC Name: [(2R,3S,5R)-5-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  Canonical SMILES: CC1=CN(C(=O)NC1=O)C2(CC(C(O2)COP(=O)(O)O)O)N=[N+]=[N-]
  InChI: InChI=1S/C10H14N5O8P/c1-5-3-15(9(18)12-8(5)17)10(13-14-11)2-6(16)7(23-10)4-22-24(19,20)21/h3,6-7,16H,2,4H2,1H3,(H,12,17,18)(H2,19,20,21)/t6-,7+,10-/m0/s1
  InChIKey: VUEHGFOETMXHKA-PJKMHFRUSA-N
• Cross-matching ID:
  PubChem CID: 118879755
  VARIDT ID: DR01700

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 4 (ABCC4)	DTCSGPB	MRP4_HUMAN	Substrate	[1]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[2]

References

• [1] MRP4: A previously unidentified factor in resistance to nucleoside-based antiviral drugs. Nat Med. 1999 Sep;5(9):1048-51.
• [2] Role of the breast cancer resistance protein (ABCG2) in drug transport. AAPS J. 2005 May 11;7(1):E118-33.