Details of the Drug

General Information of Drug (ID: DMHBD1T)

Drug Name
5-(2-hydroxyethyl)nonane-1,9-diol
Synonyms 5-(2-Hydroxyethyl)nonane-1,9-Diol; DB07171
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) 204.31
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H24O3
IUPAC Name
5-(2-hydroxyethyl)nonane-1,9-diol
Canonical SMILES
C(CCO)CC(CCCCO)CCO
InChI
InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2
InChIKey
VICIXNZSEUYGFV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25058136
DrugBank ID
DB07171
TTD ID
D0I6RE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelin-converting enzyme 1 (ECE1) TTQ9RYT ECE1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.