Details of the Drug

General Information of Drug (ID: DMAZVUB)

Drug Name
ER-34122
Synonyms
ER-34122; UNII-72Y1B3J8FS; 72Y1B3J8FS; ER 34122; 179325-62-3; SCHEMBL8854202; 5-((1,5-bis(4-methoxyphenyl)pyrazol-3-yl)dimethoxymethyl)-2-chlorobenzamide; Benzamide, 5-((1,5-bis(4-methoxyphenyl)-1H-pyrazol-3-yl)dimethoxymethyl)-2-chloro-
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 508
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H26ClN3O5
IUPAC Name
5-[[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-dimethoxymethyl]-2-chlorobenzamide
Canonical SMILES
COC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OC)C(C4=CC(=C(C=C4)Cl)C(=O)N)(OC)OC
InChI
InChI=1S/C27H26ClN3O5/c1-33-20-10-5-17(6-11-20)24-16-25(30-31(24)19-8-12-21(34-2)13-9-19)27(35-3,36-4)18-7-14-23(28)22(15-18)26(29)32/h5-16H,1-4H3,(H2,29,32)
InChIKey
USJVSASRKOHVHQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9892473
CAS Number
179325-62-3
TTD ID
D0SZ3B

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Inflammation
ICD Disease Classification 1A00-CA43.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Improvement of dissolution and oral absorption of ER-34122, a poorly water-soluble dual 5-lipoxygenase/cyclooxygenase inhibitor with anti-inflammatory activity by preparing solid dispersion. J Pharm Sci. 2002 Jan;91(1):258-66.