Details of the Drug

General Information of Drug (ID: DMIZLVW)

Drug Name
Phosphocholine
Synonyms
phosphocholine; PHOSPHORYLCHOLINE; O-Phosphocholine; choline phosphate; phosphoryl-choline; CHOP; CHEBI:18132; N-Trimethyl-2-aminoethylphosphonate; N,N,N-trimethyl-2-(phosphonooxy)ethanaminium; Trimethyl(2-(phosphonooxy)ethyl)ammonium; Ethanaminium, N,N,N-trimethyl-2-(phosphonooxy)-; Phosphocholine cation; AC1L1AJH; Epitope ID:115009; SCHEMBL8012; n,n,n-trim ; thyl-2-(phosphonooxy) ; thanaminium; AC1Q29R5; CHEMBL1235161; CTK1B6465; YHHSONZFOIEMCP-UHFFFAOYSA-O; ZINC1532692; trimethyl(2-phosphonooxyethyl)azanium; DB03945; Choline, di
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): 0 Molecular Weight (mw) 184.15
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C5H15NO4P+
IUPAC Name
trimethyl(2-phosphonooxyethyl)azanium
Canonical SMILES
C[N+](C)(C)CCOP(=O)(O)O
InChI
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKey
YHHSONZFOIEMCP-UHFFFAOYSA-O
Cross-matching ID
PubChem CID
1014
ChEBI ID
CHEBI:18132
CAS Number
3616-04-4
DrugBank ID
DB03945
TTD ID
D0Q4JF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
CRP messenger RNA (CRP mRNA) TTWRN6M CRP_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.