Details of the Drug

General Information of Drug (ID: DM7O1IW)

Drug Name
D-Mannose 1-Phosphate
Synonyms
D-Mannose 1-phosphate; Mannose 1-phosphate; mannose-1-P; D-mannose-1-phosphate; D-mannose 1-phosphates; CHEBI:35374; 27251-84-9; AC1LD8PO; delta-mannose-1-phosphate; Mannose 1-phosphoric acid; delta-mannose 1-phosphates; Epitope ID:145013; D-Mannopyranose-1-phosphate; D-Mannopyranose, 1-phosphate; SCHEMBL284741; alpha-delta-Mannose 1-phosphate; Mannose 1-phosphate-Mannopyranose; D-Mannose, 1-(dihydrogen phosphate); DB02867; D-mannopyranose 1-(dihydrogen phosphate); 1-(dihydrogen phosphate)-D-Mannopyranose; D-Mannopyranose, 1-(d
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): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
InChIKey
HXXFSFRBOHSIMQ-QTVWNMPRSA-N
Cross-matching ID
PubChem CID
644175
ChEBI ID
CHEMBL35374
CAS Number
27251-84-9
DrugBank ID
DB02867
TTD ID
D03AZI
INTEDE ID
DR2089

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pseudomonas Phosphomannomutase/phosphoglucomutase (Pseudo algC) TTLP3GX ALGC_PSEAE Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Phosphomannomutase 1 (PMM1) DEJFMQ8 PMM1_HUMAN Substrate [2]
Phosphomannomutase 2 (PMM2) DEBRX3L PMM2_HUMAN Substrate [2]
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.
2 The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J Biol Chem. 2006 May 26;281(21):14918-26.