Details of the Drug

General Information of Drug (ID: DMCXR4M)

Drug Name
2',3'-Dideoxycytidine-5'-Monophosphate
Synonyms
104086-76-2; ((2S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate; 5'-Cytidylic acid, 2',3'-dideoxy-; ddCMP; 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE; BRN 0556994; 2',3'-Dideoxycytidine 5'-monophosphate; CHEMBL1232305; C9H14N3O6P; [(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate; AC1L9JZG; SCHEMBL454264; dideoxycytidine 5'-monophosphate; ZINC1611080; 0954AA; BDBM50349537; AKOS016009455; DB02883; LS-59086; AJ-28234; AK112219; KB-204945; AX8123167
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 291.2
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H14N3O6P
IUPAC Name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKey
RAJMXAZJKUGYGW-POYBYMJQSA-N
Cross-matching ID
PubChem CID
446696
CAS Number
104086-76-2
DrugBank ID
DB02883
TTD ID
D09ZMS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Streptococcus Cytidylate kinase (Stre-coc cmk) TTMFYEC KCY_STRPN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.