Details of the Drug

General Information of Drug (ID: DMO1ZGX)

Drug Name
CRILVASTATIN
Synonyms Crilvastatin < Rec INN; PMD-387; L-Pyroglutamic acid rac-cis-3,3,5-trimethylcyclohexyl ester; 5-Oxo-L-proline rac-cis-3,3,5-trimethylcyclohexyl ester
Indication
Disease Entry ICD 11 Status REF
Hyperlipidaemia 5C80 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 253.34
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H23NO3
IUPAC Name
(3,3,5-trimethylcyclohexyl) (2S)-5-oxopyrrolidine-2-carboxylate
Canonical SMILES
CC1CC(CC(C1)(C)C)OC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/C14H23NO3/c1-9-6-10(8-14(2,3)7-9)18-13(17)11-4-5-12(16)15-11/h9-11H,4-8H2,1-3H3,(H,15,16)/t9?,10?,11-/m0/s1
InChIKey
FXAAOALUHHXBSO-ILDUYXDCSA-N
Cross-matching ID
PubChem CID
22845140
CAS Number
120551-59-9
TTD ID
D0CC8L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HMG-CoA reductase (HMGCR) TTPADOQ HMDH_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 Hyperlipidaemia
ICD Disease Classification 5C80
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
HMG-CoA reductase (HMGCR) DTT HMGCR 1.01E-05 0.65 1.53
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 800002276)
2 Differences in hypolipidaemic effects of two statins on Hep G2 cells or human hepatocytes in primary culture. Br J Pharmacol. 1996 Aug;118(7):1862-8.