Details of the Drug

General Information of Drug (ID: DMP21ZO)

• Drug Name: Beta-(2-Naphthyl)-Alanine
• Synonyms: 58438-03-2; 3-(2-Naphthyl)-L-alanine; H-2-Nal-OH; (S)-2-Amino-3-(naphthalen-2-yl)propanoic acid; l-2-naphthylalanine; BETA-(2-NAPHTHYL)-ALANINE; UNII-W425Q6KV9R; L-3-(2-Naphthyl)-alanine; (2S)-2-amino-3-(2-naphthyl)propanoic acid; (s)-2-amino-3-naphthalen-2-yl-propionic acid; W425Q6KV9R; NAL; (2S)-2-amino-3-naphthalen-2-ylpropanoic acid; (2S)-2-amino-3-(naphthalen-2-yl)propanoic acid; 3-(2-Naphthyl)-L-alanine, 98%; 3-(2-Naphthyl)alanine; beta-2-naphthyl-l-alanine; L-beta-(2-Naphthyl)alanine; L-3-(2-NAPHTHYL)ALANINE

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); 215.25
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H13NO2
  IUPAC Name: (2S)-2-amino-3-naphthalen-2-ylpropanoic acid
  Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)O)N
  InChI: InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
  InChIKey: JPZXHKDZASGCLU-LBPRGKRZSA-N
• Cross-matching ID:
  PubChem CID: 185915
  CAS Number: 58438-03-2
  DrugBank ID: DB01766
  TTD ID: D0N0YX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]
Rotamase Pin1 (PIN1)	TTJNTSI	PIN1_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.