Details of the Drug

General Information of Drug (ID: DMWQCRD)

• Drug Name: L-2-Amino-4-(Guanidinooxy)Butyric Acid
• Synonyms: L-canavanine; canavanine; Canavanin; 543-38-4; 2-Amino-4-(guanidinooxy)butyric acid; L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID; UNII-3HZV514J4B; O-((Aminoiminomethyl)amino)-L-homoserine; O-carbamimidamido-L-homoserine; 3HZV514J4B; CHEMBL443732; CHEBI:609827; (L)-CANAVANINE; O-((Aminoiminomethyl)amino)homoserine; GGB; HSDB 3471; AI3-52153; L-Homoserine, O-((aminoiminomethyl)amino)-; Butyric acid, 2-amino-4-(guanidinooxy)-, L-; C5H12N4O3; L(+)-Canavanine; Tocris-0673; Spectrum_001137; Spectrum3_001206; Spectrum2_000800

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 176.17
  Logarithm of the Partition Coefficient (xlogp); -4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C5H12N4O3
  IUPAC Name: (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid
  Canonical SMILES: C(CON=C(N)N)[C@@H](C(=O)O)N
  InChI: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
  InChIKey: FSBIGDSBMBYOPN-VKHMYHEASA-N
• Cross-matching ID:
  PubChem CID: 439202
  ChEBI ID: CHEBI:609827
  CAS Number: 543-38-4
  DrugBank ID: DB01833
  TTD ID: D0V9FZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]

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
Nitric-oxide synthase endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

References

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