Details of the Drug

General Information of Drug (ID: DMDASRW)

• Drug Name: Norleucine
• Synonyms: L-Norleucine; 327-57-1; H-Nle-OH; NORLEUCINE; (S)-2-Aminohexanoic acid; Glycoleucine; Caprine; L-(+)-Norleucine; L-2-Aminohexanoic acid; 2-Aminocaproic acid; L-2-Aminohexanoate; L-Aminohexanoate; alpha-Aminocaproic acid; (2S)-2-aminohexanoic acid; (S)-(+)-2-Aminohexanoic acid; Norleucine (VAN); L-Aminohexanoic acid; Hexanoic acid, 2-amino-, (S)-; 2S-amino-hexanoic acid; (S)-2-Aminocaproic acid; (S)-Norleucine; NSC 10378; L(+)-Norleucine; UNII-832C8OV84S; EINECS 206-321-4; BRN 1721750; NLE; CHEBI:18347; LRQKBLKVPFOOQJ-YFKPBYRVSA-N
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 131.17
  Topological Polar Surface Area (xlogp); -1.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C6H13NO2
  IUPAC Name: (2S)-2-aminohexanoic acid
  Canonical SMILES: CCCC[C@@H](C(=O)O)N
  InChI: InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
  InChIKey: LRQKBLKVPFOOQJ-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 21236
  ChEBI ID: CHEBI:18347
  CAS Number: 327-57-1
  DrugBank ID: DB15458
  TTD ID: D00EFT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatocyte nuclear factor 1-alpha (HNF1A)	TT01M3K	HNF1A_HUMAN	Inhibitor	[1]

References

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