Details of the Drug

General Information of Drug (ID: DM8LVQF)

Drug Name
L-Myo-Inositol-1-Phosphate
Synonyms (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate; AC1NRBXQ; CHEBI:58401; 1D-myo-inositol 3-phosphate(2-); DB03542; [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]
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): 1 Molecular Weight (mw) 258.12
Logarithm of the Partition Coefficient (xlogp) -5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H11O9P-2
IUPAC Name
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Canonical SMILES
[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
InChI
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1?,2-,3+,4-,5-,6?/m0/s1
InChIKey
INAPMGSXUVUWAF-LXOASSSBSA-L
Cross-matching ID
PubChem CID
5288700
ChEBI ID
CHEMBL58401
DrugBank ID
DB03542
TTD ID
D08MFC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inositol-1(or4)-monophosphatase (IMPA2) TTXWL6D IMPA2_HUMAN 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.