Details of the Drug

General Information of Drug (ID: DM0J5KF)

Drug Name
Glycerol-2-Phosphate
Synonyms
1,3-dihydroxypropan-2-yl phosphate; Glycerol 2-phosphate; 2-glycerophosphate; NCGC00166037-02; b-glycerol-phosphate; beta-glycerol-phosphate; AC1MU1UF; glycerol 2-phosphate(2-); glycerol 2-phosphate dianion; CHEBI:58083; STL280277; 2-(phosphonatooxy)propane-1,3-diol; AKOS022142160
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) 172.07
Logarithm of the Partition Coefficient (xlogp) -2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C3H9O6P
IUPAC Name
1,3-dihydroxypropan-2-yl dihydrogen phosphate
Canonical SMILES
C(C(CO)OP(=O)(O)O)O
InChI
InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChIKey
DHCLVCXQIBBOPH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2526
ChEBI ID
CHEMBL1232903
CAS Number
17181-54-3
UNII
WWH06G87W6
DrugBank ID
DB01779
TTD ID
D0MN3X
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Triosephosphate isomerase (Bact TPI) TTNS6X4 TPIS_PLAFA Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Phosphate-regulating neutral endopeptidase PHEX (PHEX) OTG7N3J7 PHEX_HUMAN Gene/Protein Processing [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 role of tissue-nonspecific alkaline phosphatase in the phosphate-induced activation of alkaline phosphatase and mineralization in SaOS-2 human osteoblast-like cells. Mol Cell Biochem. 2008 Aug;315(1-2):51-60.