EcoDrugPlus


Synonyms	FEMA NO. 3585 L-phenylalanine Laevo-phenyl alanine NSC-79477 Phenylalanine
Status
Molecule Category	Free-form
UNII	47E5O17Y3R
EPA CompTox	DTXSID4040763


InChI Key	COLNVLDHVKWLRT-QMMMGPOBSA-N
Smiles	N[C@@H](Cc1ccccc1)C(=O)O
InChI	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

Property Name	Value
Molecular Formula	C9H11NO2
Molecular Weight	165.19
AlogP	0.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	63.32
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	12.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family	-	-	-	977.24-980	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC03 and SLC07 families of heteromeric amino acid transporters (HATs) SLC07 Cationic amino acid transporter/glycoprotein-associated family	-	-	-	-	85-85

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	85-85
Mus musculus	-	-	-	977.24-980	-

Resources	Reference
ChEBI	17295
ChEMBL	CHEMBL301523
DrugBank	DB00120
DrugCentral	2144
FDA SRS	47E5O17Y3R
Human Metabolome Database	HMDB0000159
Guide to Pharmacology	3313
KEGG	C00079
PDB	PHE
PharmGKB	PA450931
PubChem	6140
SureChEMBL	SCHEMBL8119
ZINC	ZINC000000105196

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

PHENYLALANINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References