Details of the Drug

General Information of Drug (ID: DM90SHY)

Drug Name
METIAPRIL
Synonyms Methiopril; Cis-1-[3-(Acetylsulfanyl)propionyl]-6-methylpiperidine-2-carboxylic acid
Indication
Disease Entry ICD 11 Status REF
Hypotension BA20-BA21 Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 273.35
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C12H19NO4S
IUPAC Name
(2S,6S)-1-(3-acetylsulfanylpropanoyl)-6-methylpiperidine-2-carboxylic acid
Canonical SMILES
C[C@H]1CCC[C@H](N1C(=O)CCSC(=O)C)C(=O)O
InChI
InChI=1S/C12H19NO4S/c1-8-4-3-5-10(12(16)17)13(8)11(15)6-7-18-9(2)14/h8,10H,3-7H2,1-2H3,(H,16,17)/t8-,10-/m0/s1
InChIKey
JHFOAISYWJRTIM-WPRPVWTQSA-N
Cross-matching ID
PubChem CID
788183
TTD ID
D02JUM
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin-converting enzyme (ACE) TTL69WB ACE_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypotension
ICD Disease Classification BA20-BA21
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Angiotensin-converting enzyme (ACE) DTT SLC33A1 2.62E-01 -0.01 -0.06
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 800005081)
2 The clinical efficacy of the first Russian angiotensin-converting enzyme inhibitor methiopril in patients with heart failure. Klin Med (Mosk). 1995;73(3):49-51.