Details of the Drug

General Information of Drug (ID: DMNLTGF)

Drug Name
Canaline
Synonyms
L-Canaline; 496-93-5; (S)-2-Amino-4-(aminooxy)butanoic acid; O-Amino-L-homoserine; L-Homoserine, O-amino-; UNII-T7H2XP1ZNS; T7H2XP1ZNS; (2S)-2-amino-4-(aminooxy)butanoic acid; L-2-amino-4-(aminooxy)butyrate; L-2-amino-4-(aminooxy)butyric acid; L-a-amino-g-(aminooxy)-n-butyric acid; 2-Amino-4-(aminooxy)butyric acid; L-Canaline base; 1-Amino-3-amino-oxybutyric acid; AC1L9B6J; SCHEMBL440859; CHEMBL1231652; CTK1D6980; DTXSID60197925; MolPort-019-904-731; FQPGMQABJNQLLF-VKHMYHEASA-N; ZINC1531042; ANW-63284; AKOS006274866; L-canaline
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) 134.13
Logarithm of the Partition Coefficient (xlogp) -4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H10N2O3
IUPAC Name
(2S)-2-amino-4-aminooxybutanoic acid
Canonical SMILES
C(CON)[C@@H](C(=O)O)N
InChI
InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChIKey
FQPGMQABJNQLLF-VKHMYHEASA-N
Cross-matching ID
PubChem CID
441443
ChEBI ID
CHEBI:41401
CAS Number
496-93-5
DrugBank ID
DB02821
TTD ID
D08KEZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ornithine delta-aminotransferase (OAT) TTTSCQ2 OAT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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