Details of the Drug

General Information of Drug (ID: DMMZ2JT)

Drug Name
SINITRODIL
Synonyms ITF-296; Sinitrodil; 3-[2-(Nitrooxy)ethyl]-2H-1,3-benzoxazin-4(3H)-one
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 238.2
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H10N2O5
IUPAC Name
2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl nitrate
Canonical SMILES
C1N(C(=O)C2=CC=CC=C2O1)CCO[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O5/c13-10-8-3-1-2-4-9(8)16-7-11(10)5-6-17-12(14)15/h1-4H,5-7H2
InChIKey
POVFCWQCRHXYAB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
121985
CAS Number
143248-63-9
TTD ID
D0D7XW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Angina pectoris
ICD Disease Classification BA40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 5A (PDE5A) DTT PDE5A 1.60E-01 -0.25 -0.99
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005482)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015