General Information of Drug (ID: DM5OYWF)

Drug Name
2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE
Synonyms
2',5'-dideoxy-adenosine 3'-monophosphate; 2',5'-Dideoxyadenosine 3'-monophosphate; AC1L9H2O; SCHEMBL1920523; CTK8E3534; 2',5'-dideoxy-3'-adenylic acid; 2,5-Dideoxyadenosine 3-monophosphate; AKOS025394264; DB06843; 121878-11-3; RT-018381; 2',5'-Dideoxyadenosine 3'-phosphoric acid; [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxyphosphonic acid; [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] dihydrogen phosphate
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): 0 Molecular Weight (mw) 315.22
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C10H14N5O5P
IUPAC Name
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl] dihydrogen phosphate
Canonical SMILES
C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c1-5-6(20-21(16,17)18)2-7(19-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1
InChIKey
NFGZMOICZSFFLB-DSYKOEDSSA-N
Cross-matching ID
PubChem CID
444894
DrugBank ID
DB06843
TTD ID
D0K7HT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenylate cyclase type 2 (ADCY2) TTBQ9IM ADCY2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.