Details of the Drug

General Information of Drug (ID: DM7O0UR)

Drug Name
Idrapril
Synonyms LG-32001
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 258.269
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H18N2O5
IUPAC Name
(1S,2R)-2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
Canonical SMILES
CN(CC(=O)NO)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O
InChI
InChI=1S/C11H18N2O5/c1-13(6-9(14)12-18)10(15)7-4-2-3-5-8(7)11(16)17/h7-8,18H,2-6H2,1H3,(H,12,14)(H,16,17)/t7-,8+/m1/s1
InChIKey
QKIVRALZQSUWHH-SFYZADRCSA-N
Cross-matching ID
PubChem CID
65960
CAS Number
127420-24-0
TTD ID
D08DWH
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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 Hypertension
ICD Disease Classification BA00-BA04
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 800002045)
2 Pharmacology of idrapril: a new class of angiotensin converting enzyme inhibitors. J Cardiovasc Pharmacol. 1992 Jul;20(1):139-46.