Details of the Drug

General Information of Drug (ID: DM6YHBR)

Drug Name
6-O-Phosphoryl Inosine Monophosphate
Synonyms
6-o-phosphoryl inosine monophosphate; IMO; AC1L9GY0; SCHEMBL4321566; DB03510; 6-(phosphonooxy)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine; [9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-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): 3 Molecular Weight (mw) 428.19
Logarithm of the Partition Coefficient (xlogp) -4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C10H14N4O11P2
IUPAC Name
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl] dihydrogen phosphate
Canonical SMILES
C1=NC2=C(C(=N1)OP(=O)(O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H14N4O11P2/c15-6-4(1-23-26(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)25-27(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKey
RXRZOKQPANIEDW-KQYNXXCUSA-N
Cross-matching ID
PubChem CID
444818
DrugBank ID
DB03510
TTD ID
D0T6XN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Adenylosuccinate synthetase (Malaria Adss) TTYQ4AE PURA_PLAFA 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.