General Information of Drug (ID: DM0748C)

Drug Name
Meta-Tyrosine
Synonyms
L-m-Tyrosine; 587-33-7; 3-HYDROXY-L-PHENYLALANINE; Meta-Tyrosine; (S)-2-amino-3-(3-hydroxyphenyl)propanoic acid; m-Tyrosine; 3-tyrosine; m-L-Tyrosine; 3-Hydroxyphenylalanine; UNII-D5YF57V4QW; 3-(m-Hydroxyphenyl)alanine; L-mTyr; (2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid; L-M-TYR; D5YF57V4QW; L-Phenylalanine, 3-hydroxy-; MFCD00063059; AK-86473; L-META-TYROSINE; 3-(3-HYDROXYPHENYL)-L-ALANINE; D-3-hydroxyphenylalanine; L-PHE(3-OH)-OH; (2S)-2-azaniumyl-3-(3-hydroxyphenyl)propanoate; Tyrosine, meta-; MTY; m-Tyrosine, L-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 181.19
Logarithm of the Partition Coefficient (xlogp) -2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H11NO3
IUPAC Name
(2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid
Canonical SMILES
C1=CC(=CC(=C1)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
JZKXXXDKRQWDET-QMMMGPOBSA-N
Cross-matching ID
PubChem CID
6950578
ChEBI ID
CHEBI:44303
CAS Number
587-33-7
DrugBank ID
DB03552
TTD ID
D05XGI

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.