Details of the Drug

General Information of Drug (ID: DM3FLMR)

Drug Name
Azidothymidine monophosphate
Synonyms azidothymidine monophosphate; SCHEMBL17515060
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.