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
CHEMBL41401
CAS Number
496-93-5
UNII
T7H2XP1ZNS
DrugBank ID
DB02821
TTD ID
D08KEZ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.