General Information of Drug (ID: DM3O9YW)

Drug Name
O-Phosphoethanolamine
Synonyms
2-Aminoethyl dihydrogen phosphate; O-Phosphorylethanolamine; 1071-23-4; O-Phosphocolamine; Colamine phosphate; Phosphorylethanolamine; ethanolamine phosphate; Phosphonoethanolamine; Ethanolamine O-phosphate; Mono(2-aminoethyl) phosphate; Phosphoryethanolamine; COLAMINE PHOSPHORIC ACID; Colaminephosphoric acid; Pe 104; Colaminphosphoric acid; Ethanol, 2-amino-, phosphate; Ethanolamine acid phosphate; Ethanol, 2-amino-, dihydrogen phosphate (ester); monoaminoethyl phosphate
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 141.06
Logarithm of the Partition Coefficient (xlogp) -4.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C2H8NO4P
IUPAC Name
2-aminoethyl dihydrogen phosphate
Canonical SMILES
C(COP(=O)(O)O)N
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1015
ChEBI ID
CHEBI:17553
CAS Number
1071-23-4
DrugBank ID
DB01738
TTD ID
D04TBJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein kinase C beta (PRKCB) TTYPXQF KPCB_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.