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], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

134.13

Topological Polar Surface Area (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], [2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	Ornithine aminotransferase, a potential target for the treatment of hyperammonemias. Curr Drug Targets. 2000 Sep;1(2):119-53.