EcoDrugPlus


Synonyms	Chitosamine Glucosamine Mediflex
Status
Molecule Category	Free-form
ATC	M01AX05
UNII	N08U5BOQ1K


InChI Key	MSWZFWKMSRAUBD-IVMDWMLBSA-N
Smiles	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1

Property Name	Value
Molecular Formula	C6H13NO5
Molecular Weight	179.17
AlogP	-3.25
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	116.17
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	12.0

Mechanism of Action	Action	Reference
Supplement	None	PubMed DailyMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	13.9

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	-	-	0.8-19
Homo sapiens	-	-	-	-	10.3-14.1
Rattus norvegicus	-	-	-	-	15.17-21.61

Resources	Reference
ChEBI	47977
ChEMBL	CHEMBL493287
DrugBank	DB01296
DrugCentral	1307
FDA SRS	N08U5BOQ1K
Human Metabolome Database	HMDB0001514
KEGG	C00329
PharmGKB	PA164747613
PubChem	3034366
SureChEMBL	SCHEMBL167831

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

GLUCOSAMINE

Structure

Physicochemical Descriptors

Pharmacology

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