Details of the Drug

General Information of Drug (ID: DMRO1IU)

• Drug Name: 1-3 Sugar Ring of Pentamannosyl 6-Phosphate
• Synonyms: 1-3 SUGAR RING OF PENTAMANNOSYL 6-PHOSPHATE; P3M; AC1L9GSL; DB02755; WURCS=2.0/2,3,2/[a1122h-1a_1-5][a1122h-1a_1-5_6*OPO/3O/3=O]/1-1-2/a3-b1_b3-c1; 6-O-phosphono-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranose; [(2R,3S,4S,5S,6R)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 584.4
  Logarithm of the Partition Coefficient (xlogp); -7.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 12
  Hydrogen Bond Acceptor Count (hbondacc); 19
• Chemical Identifiers:
  Formula: C18H33O19P
  IUPAC Name: [(2R,3S,4S,5S,6R)-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
  Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O)O)O)O
  InChI: InChI=1S/C18H33O19P/c19-1-4-8(22)14(12(26)16(28)33-4)36-18-13(27)15(9(23)5(2-20)34-18)37-17-11(25)10(24)7(21)6(35-17)3-32-38(29,30)31/h4-28H,1-3H2,(H2,29,30,31)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
  InChIKey: HDQMHAJOIVYOIP-NAVBLJQLSA-N
• Cross-matching ID:
  PubChem CID: 444727
  DrugBank ID: DB02755
  TTD ID: D06WSW

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]

References

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