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

Topological Polar Surface Area (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)

MIA Detail

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	Antisense oligonucleotides on neurobehavior, respiratory, and cardiovascular function, and hERG channel current studies. J Pharmacol Toxicol Methods. 2014 Jan-Feb;69(1):49-60.
3	Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2009).
4	US patent application no. 7,425,545, Modulation of C-reactive protein expression.