Details of the Drug

General Information of Drug (ID: DMI94L1)

Drug Name
REV-5901
Synonyms
Rev 5901; REV-5901; 101910-24-1; RG 5901; PF 5901; alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol; 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol; CHEMBL8747; MLS000069771; REV-901; PF-5901; SMR000058509; alpha-Pentyl-3-[2-quinolinylmethoxy]benzyl alcohol; Benzenemethanol, alpha-pentyl-3-(2-quinolinylmethoxy)-; 1-(3-(quinolin-2-ylmethoxy)phenyl)hexan-1-ol; SR-01000076105; ACMC-20d0wb; Opera_ID_512; WNW5RYD8MG; UNII-WNW5RYD8MG; AC1L1JIU; Lopac0_001042; CBiol_001910; KBioGR_000242; BSPBio_001522; KBioSS_000242; MLS001076522
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 335.4
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H25NO2
IUPAC Name
1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
Canonical SMILES
CCCCCC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
InChIKey
JRLOEMCOOZSCQP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5059
ChEBI ID
CHEBI:91821
CAS Number
101910-24-1
TTD ID
D0O8ZE

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 Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5) OT7FOIK2 LOX5_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 7.42E-01 -0.18 -0.25
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 1.25E-03 0.43 0.63
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity. J Med Chem. 1991 Mar;34(3):1028-36.
2 Toxicity of human monocytic THP-1 cells and microglia toward SH-SY5Y neuroblastoma cells is reduced by inhibitors of 5-lipoxygenase and its activating protein FLAP. J Leukoc Biol. 2003 Mar;73(3):369-78.