EcoDrugPlus


Synonyms	L-kynurenine
Status
Molecule Category	Free-form
UNII	02JW4J5R44


InChI Key	YGPSJZOEDVAXAB-QMMMGPOBSA-N
Smiles	Nc1ccccc1C(=O)C[C@H](N)C(=O)O
InChI	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1

Property Name	Value
Molecular Formula	C10H12N2O3
Molecular Weight	208.22
AlogP	0.25
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	106.41
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	15.0

Resources	Reference
ChEBI	57959
ChEMBL	CHEMBL498416
DrugBank	DB02070
FDA SRS	02JW4J5R44
Human Metabolome Database	HMDB0000684
KEGG	C00328
PDB	KYN
SureChEMBL	SCHEMBL20875
ZINC	ZINC000000895186

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

L-KYNURENINE

Structure

Physicochemical Descriptors

Related Entries

Cross References