Details of the Drug

General Information of Drug (ID: DMTKN4A)

Drug Name
Homoserine Lactone
Synonyms homoserinium lactone; 2-oxooxolan-3-aminium; homoserinium lactone(1+); homoserinium lactone cation; (2-oxooxolan-3-yl)azanium; 2-oxotetrahydrofuran-3-aminium; AC1N129K
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): 0 Molecular Weight (mw) 101.1
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H7NO2
IUPAC Name
3-aminooxolan-2-one
Canonical SMILES
C1COC(=O)C1N
InChI
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
InChIKey
QJPWUUJVYOJNMH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73509
ChEBI ID
CHEBI:17289
CAS Number
1192-20-7
DrugBank ID
DB02624
TTD ID
D07WXS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/hydrogen exchanger 1 (SLC9A1) TTGSEFH SL9A1_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.