Details of the Drug

General Information of Drug (ID: DM9O8DT)

• Drug Name: L-tyrosine
• Synonyms: DTY; Rxosine; Tirosina; Tyr; Tyrosine; Tyrosinum; Tirosina [Spanish]; Tyrosine Power; Tyrosinum [Latin]; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs; L-Tyrosin; L-Tyrosine hydrochloride; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide; P-Tyrosine; TYR NH3+ COOH; Tyrosine (VAN); Tyrosine [USAN:INN]; Free-Form L-Tyrosine; H-Tyr-OH; L-Tyrosine (9CI); L-Tyrosine (JAN); L-Tyrosine, homopolymer; L-Tyrosine, monomer; L-p-Tyrosine; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, brominated with N-bromosuccinimide; Tyrosine (USP/INN); Beta-(p-Hydroxyphenyl)alanine; Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs, oxidized with hydrogen peroxide, <3 kd fraction; Tyrosine, L-(8CI); DD69927C-C6A8-4BC6-8E9A-0AB423B176E7; L-(-)-Tyrosine; Melanin synthesized from Tyr substrate catalyzed by tyrosinase, sulfonated using sulfur trioxide/DMF complex for 1.5-7 hours; Alpha-Amino-beta-(4-hydroxyphenyl)propionic acid; L-2-Amino-3-p-hydroxyphenylpropanoic acid; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-Tyrosine; (S)-alpha-Amino-4-hydroxybenzenepropanoic acid; 2-Amino-3-(p-hydroxyphenyl)propionic acid; 3-(4-Hydroxyphenyl)-L-alanine; 3-(p-Hydroxyphenyl)alanine; 4-Hydroxy-L-phenylalanine; 4ts1

Indication

Disease Entry	ICD 11	Status	REF
Malnutrition	5B50-5B71	Approved	[1], [2]

• Therapeutic Class: Dietary supplement
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 181.19
  Topological Polar Surface Area (xlogp); -2.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• ADMET Property: Metabolism: The drug is metabolized via the liver [3]
• Chemical Identifiers:
  Formula: C9H11NO3
  IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
  Canonical SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
  InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
  InChIKey: OUYCCCASQSFEME-QMMMGPOBSA-N
• Cross-matching ID:
  PubChem CID: 6057
  ChEBI ID: CHEBI:17895
  CAS Number: 60-18-4
  DrugBank ID: DB00135
  TTD ID: D01CRB
  VARIDT ID: DR00020
  INTEDE ID: DR2207

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine 3-monooxygenase (TH)	TTUHP71	TY3H_HUMAN	Binder	[4], [5]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
L-type amino acid transporter 2 (SLC7A8)	DTJF3DX	LAT2_HUMAN	Substrate	[6]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Tyrosine decarboxylase (tdc) Main DME	DEX2ZLF	TYRDC_LACBR	Substrate	[7]

Molecular Expression Atlas of This Drug

• The Studied Disease: Malnutrition
• ICD Disease Classification: 5B50-5B71

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosine 3-monooxygenase (TH)	DTT	TH	9.10E-04	-2.73	-1.55
L-type amino acid transporter 2 (SLC7A8)	DTP	LAT2	7.23E-02	-2.92E-01	-4.31E-01

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4791).
• [2] Drug information of L-Phenylalanine, 2008. eduDrugs.
• [3] FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
• [4] Effect of metals and phenylalanine on the activity of human tryptophan hydroxylase-2: comparison with that on tyrosine hydroxylase activity. Neurosci Lett. 2006 Jul 3;401(3):261-5.
• [5] In situ and in vitro evidence for DCoH/HNF-1 alpha transcription of tyrosinase in human skin melanocytes. Biochem Biophys Res Commun. 2003 Feb 7;301(2):610-6.
• [6] The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.3.8.20)
• [7] Tyrosine decarboxylase from Lactobacillus brevis: soluble expression and characterization. Protein Expr Purif. 2014 Feb;94:33-9.
• [8] Gut bacterial tyrosine decarboxylases restrict levels of levodopa in the treatment of Parkinson's disease. Nat Commun. 2019 Jan 18;10(1):310.
• [9] Quantifying the relative contributions of different solute carriers to aggregate substrate transport. Sci Rep. 2017 Jan 16;7:40628.
• [10] Selectivity and affinity determinants for ligand binding to the aromatic amino acid hydroxylases. Curr Med Chem. 2007;14(4):455-67.
• [11] Biochemistry of postmortem brains in Parkinson's disease: historical overview and future prospects. J Neural Transm Suppl. 2007;(72):113-20.
• [12] Dopamine beta-hydroxylase deficiency. A genetic disorder of cardiovascular regulation. Hypertension. 1991 Jul;18(1):1-8.
• [13] Effect of L1-79 on Core Symptoms of Autism Spectrum Disorder: A Case Series. Clin Ther. 2019 Oct;41(10):1972-1981.
• [14] Clinical pipeline report, company report or official report of Oxford BioMedica.
• [15] Clinical pipeline report, company report or official report of Oxford BioMedica.
• [16] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [17] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1243).