Details of the Drug

General Information of Drug (ID: DM3NCM1)

Drug Name
Alpha-D-Mannose-6-Phosphate
Synonyms
alpha-D-mannose-6-phosphate; 6-H2PO3Manalpha; alpha-D-mannose 6-phosphate; (6P)Manalpha; Man6P; (6P)Mana; 6-O-phosphono-alpha-D-mannopyranose; UNII-C77UQ006XD; C77UQ006XD; CHEBI:43896; Mannose 6-phosphate; M6P; 1syo; 1m6p; 1sz0; AC1L9KGE; SCHEMBL742653; CHEMBL402001; NBSCHQHZLSJFNQ-PQMKYFCFSA-N; ZINC4096188; DB02900; alpha-D-Mannopyranose, 6-(dihydrogen phosphate); WURCS=2.0/1,1,0/[a1122h-1a_1-5_6*OPO/3O/3=O]/1/; [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 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): 2 Molecular Weight (mw) 260.14
Logarithm of the Partition Coefficient (xlogp) -4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H13O9P
IUPAC Name
[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
InChIKey
NBSCHQHZLSJFNQ-PQMKYFCFSA-N
Cross-matching ID
PubChem CID
447096
ChEBI ID
CHEBI:43896
CAS Number
40436-60-0
DrugBank ID
DB02900
TTD ID
D0Q0OH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mannose-6-phosphate receptor (M6PR) TT95ICL MPRD_HUMAN Inhibitor [1]
Pseudomonas Phosphomannomutase/phosphoglucomutase (Pseudo algC) TTLP3GX ALGC_PSEAE 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.