Details of the Drug

General Information of Drug (ID: DMQOI5X)

• Drug Name: 3-Methylphenylalanine
• Synonyms: 5472-70-8; 2-Amino-3-(m-tolyl)propanoic acid; 2-amino-3-m-tolyl-propionic acid; 3-Methy-DL-Phenylalanine; DL-3-ME-PHE-OH; 2-amino-3-(3-methylphenyl)propanoic acid; 3-METHYLPHENYLALANINE; 3-Methylphe; NSC14793; AC1L5E1A; SCHEMBL42906; AC1Q5S51; ss-m-Tolyl-a-amino-propionsaure; CTK8E3667; KS-00000JHC; 3-METHYL-DL-PHENYLALANINE; MolPort-003-990-079; 2-amino-3-(m-tolyl)propionic acid; 2283-42-3; NSC29447; NSC-29447; NSC-14793; AKOS016843161; AKOS000174493; MCULE-1997175050; AM83420; AB21660; 2-AMINO-3-M-TOLYLPROPANOIC ACID

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 179.22
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H13NO2
  IUPAC Name: (2S)-2-amino-3-(3-methylphenyl)propanoic acid
  Canonical SMILES: CC1=CC(=CC=C1)C[C@@H](C(=O)O)N
  InChI: InChI=1S/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
  InChIKey: JZRBSTONIYRNRI-VIFPVBQESA-N
• Cross-matching ID:
  PubChem CID: 2761494
  CAS Number: 114926-37-3
  DrugBank ID: DB02685
  TTD ID: D0X8ZS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin B (CTSB)	TTF2LRI	CATB_HUMAN	Inhibitor	[1]

References

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