Details of the Drug

General Information of Drug (ID: DMETAP8)

Drug Name
R7232
Indication
Disease Entry ICD 11 Status REF
Dyslipidemia 5C80-5C81 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 172.61
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H9ClN2O
IUPAC Name
1,3,5-trimethylpyrazole-4-carbonyl chloride
Canonical SMILES
CC1=C(C(=NN1C)C)C(=O)Cl
InChI
InChI=1S/C7H9ClN2O/c1-4-6(7(8)11)5(2)10(3)9-4/h1-3H3
InChIKey
UFNVZQRBSDFSPY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13637622
CAS Number
98298-63-6
TTD ID
D0B0UN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholesteryl ester transfer protein (CETP) TTFQAYR CETP_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 Dyslipidemia
ICD Disease Classification 5C80-5C81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cholesteryl ester transfer protein (CETP) DTT CETP 8.86E-01 -0.1 -0.6
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 800027351)
2 Clinical pipeline report, company report or official report of Roche (2009).