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
CHEBI:17270
CAS Number
17181-54-3
DrugBank ID
DB01779
TTD ID
D0MN3X

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
Alkaline phosphatase, tissue-nonspecific isozyme (ALPL) OTG7J4BP PPBT_HUMAN Gene/Protein Processing [2]
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (ENPP1) OT3MPPYX ENPP1_HUMAN Gene/Protein Processing [2]
Fibroblast growth factor 23 (FGF23) OTZT523D FGF23_HUMAN Gene/Protein Processing [3]
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.
3 Bone as a source of FGF23: regulation by phosphate?. Bone. 2004 Nov;35(5):1192-9. doi: 10.1016/j.bone.2004.06.014.