EcoDrugPlus


Synonyms	Pyridoxamine Pyridoxylamine
Status
Molecule Category	Free-form
UNII	6466NM3W93
EPA CompTox	DTXSID6046929


InChI Key	NHZMQXZHNVQTQA-UHFFFAOYSA-N
Smiles	Cc1ncc(CO)c(CN)c1O
InChI	InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3

Property Name	Value
Molecular Formula	C8H12N2O2
Molecular Weight	168.2
AlogP	0.05
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	79.37
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Resources	Reference
ChEBI	16410
ChEMBL	CHEMBL593019
DrugBank	DB11673
FDA SRS	6466NM3W93
Human Metabolome Database	HMDB0001431
KEGG	C00534
PDB	PXM
PubChem	1052
SureChEMBL	SCHEMBL30408
ZINC	ZINC000034926229

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

PYRIDOXAMINE

Structure

Physicochemical Descriptors

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