Details of the Drug

General Information of Drug (ID: DMO3FYI)

Drug Name
RP-73163
Synonyms CHEMBL434418; BDBM50106700
Indication
Disease Entry ICD 11 Status REF
Arteriosclerosis BD40 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 446.6
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H30N4OS
IUPAC Name
1-[6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl]-3,5-dimethylpyrazole
Canonical SMILES
CC1=CC(=NN1CCCCCCS(=O)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H30N4OS/c1-20-19-21(2)30(29-20)17-11-3-4-12-18-32(31)26-27-24(22-13-7-5-8-14-22)25(28-26)23-15-9-6-10-16-23/h5-10,13-16,19H,3-4,11-12,17-18H2,1-2H3,(H,27,28)
InChIKey
TVSPJKIQOPZAPE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44356696
TTD ID
D06KFR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Liver carboxylesterase (CES1) TTMF541 EST1_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 Arteriosclerosis
ICD Disease Classification BD40
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Liver carboxylesterase (CES1) DTT CES1 3.82E-08 1.86 1.9
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 800003588)
2 Hypolipidaemic properties of a potent and bioavailable alkylsulphinyl-diphenylimidazole ACAT inhibitor (RP 73163) in animals fed diets low in cholesterol. Biochem Pharmacol. 1996 Oct 25;52(8):1177-86.