CHOLINE

Search structure
Status: Approved
Entry Type: Unknown
Molecule Category: Parent
Parent Compound: CHOLINE

Structure
InChI Key OEYIOHPDSNJKLS-UHFFFAOYSA-N
Smile C[N+](C)(C)CCO
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H14NO+
Molecular Weight 104.17
AlogP -0.32
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3013006.02 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- - - 18000 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 18000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
- 1600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 42000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 159000-1450000 - - 21.3

Indications

Mesh Heading Maximum Phase Reference
Inflammation; Pain, Postoperative Phase 4 ClinicalTrials

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