ACETYLCYSTEINE


Trade Names	ACETADOTE ACETYLCYSTEINE CETYLEV MUCOMYST MUCOSIL-10 MUCOSIL-20
Synonyms	5052 A-cys Acc-600 Acetadote Acetyl cysteine Acetylcysteine Airbron Broncholysin Cetylev En-cys Fabrol Fluimicil Fluimucetin Fluimucil Fluimucil 600
Status
Molecule Category	Free-form
ATC	R05CB01 S01XA08 V03AB23
UNII	WYQ7N0BPYC
EPA CompTox	DTXSID5020021


InChI Key	PWKSKIMOESPYIA-BYPYZUCNSA-N
Smiles	CC(=O)N[C@@H](CS)C(=O)O
InChI	InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

Property Name	Value
Molecular Formula	C5H9NO3S
Molecular Weight	163.2
AlogP	-0.49
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	66.4
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	10.0

Mechanism of Action	Action	Reference
Glutathione precursor	None	DailyMed FDA DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	82.21-89.21
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	15.5

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	82.21-89.21
Homo sapiens	-	-	-	-	15.5-35

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	28939
ChEMBL	CHEMBL600
DrugBank	DB06151
DrugCentral	66
FDA SRS	WYQ7N0BPYC
Human Metabolome Database	HMDB0001890
Guide to Pharmacology	10945
KEGG	C06809
PDB	SC2
PharmGKB	PA448033
PubChem	12035
SureChEMBL	SCHEMBL5292
ZINC	ZINC000003589203

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ACETYLCYSTEINE

Structure

Physicochemical Descriptors

Pharmacology

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