Compound Detail

CHEMBL282468

CHOLINE CHLORIDE

💊 Approved Drug

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💊 Approved Drug

C[N+](C)(C)CCO.[Cl-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL282468
Name	CHOLINE CHLORIDE
Phase	Approved
Structure Type	MOL
InChI Key	SGMZJAMFUVOLNK-UHFFFAOYSA-M
Parent Compound	CHEMBL920
Active Moiety	CHEMBL920

Known Names

Chlorure de choline Choline chloride Cloruro de colina FEMA NO. 4500 Hormocline Lipotril NSC-402838 Paresan

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

104.2

MW (Da)

-0.32

ALogP

HBA

HBD

20.2

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	2012
Availability	Prescription
Chirality	Achiral

Routes of Administration

Parenteral

Flags

Natural Product

Extended Properties

Molecular Formula	C5H14ClNO
MW	139.63
Aromatic Rings	0
Heavy Atoms	7
NP-Likeness	1.44

Activity Summary

Ki 3 meas. best 6.17

EC50 1 meas. best 4.77

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity choline transporter 1 CHEMBL3013	Ki	6.17	6.17	680.8	1
High affinity choline transporter 1 CHEMBL4507	EC50	4.77	4.77	17000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity choline transporter 1	Ki	=	680.77	nM	6.17	Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synapto...	20637607
High affinity choline transporter 1	EC50	=	17000.0	nM	4.77	Substrate uptake and inhibition of the High Affinity Choline Transporter 1 (CHT1...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	405
4032433	10.1021/jm00147a033	Choline O-acetyltransferase	3
-	10.1021/np50029a017	Artemia	1
20637607	10.1016/j.bmcl.2010.06.090	High affinity choline transporter 1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
-	10.5281/zenodo.7361355	High affinity choline transporter 1	1

Data from ChEMBL 36 via Core Engine