General Information of Drug (ID: DMYXHUO)

Drug Name
4-(4-(pentyloxy)phenoxy)phenol
Synonyms 4-(4-(pentyloxy)phenoxy)phenol; CHEMBL500079
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 272.34
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H20O3
IUPAC Name
4-(4-pentoxyphenoxy)phenol
Canonical SMILES
CCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C17H20O3/c1-2-3-4-13-19-15-9-11-17(12-10-15)20-16-7-5-14(18)6-8-16/h5-12,18H,2-4,13H2,1H3
InChIKey
JYQOLNAVBLFGQA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44562857
TTD ID
D0I7MC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Leukotriene A-4 hydrolase (LTA4H) TTXZEAJ LKHA4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Leukotriene A-4 hydrolase (LTA4H) DTT LTA4H 1.31E-48 -1.22 -2.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6549-52.