General
Preferred name
CHOLINE
Synonyms
Choline gluconate ()
Choline C-11 ()
CHOLINE CHLORIDE ()
Methyl-D9-choline ()
2-(tri(2h3)methylaminio)ethanol ()
J2.078.736H ()
P&D ID
PD010230
CAS
139741-81-4
5413-08-1
94793-58-5
62-49-7
Tags
drug
drug candidate
available
Approved by
FDA
First approval
2012
Drug indication
Discovery agent
Obesity
Drug Status
approved
investigational
nutraceutical
Max Phase
0.5
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Choline is a component of several INN-assigned drugs (GtoPdb)
Compound Sets
17
ChEMBL Drugs
CHEMBL920
CHEMBL4297301
Concise Guide to Pharmacology 2017/18
4551
Concise Guide to Pharmacology 2019/20
4551
Concise Guide to Pharmacology 2021/22
4551
Concise Guide to Pharmacology 2023/24
4551
Drug Repurposing Hub
DrugBank
DB09563
DB00122
DB12628
DrugBank Approved Drugs
DB09563
DB00122
DrugCentral
4635
3097
DrugCentral Approved Drugs
4635
3097
DrugMAP
DM5D9YK
Guide to Pharmacology
4551
Ki Database
Choline
NCATS Inxight Approved Drugs
M4AS4XGD4Q
NPC Screening Collection
ReFrame library
ZINC Tool Compounds
ZINC000003079337
External IDs
64
Properties
(calculated by RDKit )
Molecular Weight
104.11
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.32
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ACHE, BCHE, CHRNA2, PCYT1A, PCYT1B, PHOSPHO1, PLD1, PLD2
MOA
acetylcholine precursor
Source data