Details of the Drug

General Information of Drug (ID: DMYVJHN)

Drug Name
Trans-(1S(R),2S(R))-2-Hydroxycyclooctyl nitrate
Synonyms CHEMBL556256; trans-(1S(R),2S(R))-2-Hydroxycyclooctyl nitrate; BDBM50293661
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) 189.21
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H15NO4
IUPAC Name
[(1S,2S)-2-hydroxycyclooctyl] nitrate
Canonical SMILES
C1CCC[C@@H]([C@H](CC1)O)O[N+](=O)[O-]
InChI
InChI=1S/C8H15NO4/c10-7-5-3-1-2-4-6-8(7)13-9(11)12/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKey
IWKAONCFSJZOOC-YUMQZZPRSA-N
Cross-matching ID
PubChem CID
45273021
TTD ID
D0L1AV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutathione reductase (GR) TTEP6RV GSHR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 In vitro inhibition of human erythrocyte glutathione reductase by some new organic nitrates. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3661-3.