Details of the Drug

General Information of Drug (ID: DMKDZMQ)

Drug Name
4-Hydroxybenzylalcohol
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 124.14
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H8O2
IUPAC Name
4-(hydroxymethyl)phenol
Canonical SMILES
C1=CC(=CC=C1CO)O
InChI
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
125
ChEBI ID
CHEBI:67410
CAS Number
623-05-2
TTD ID
D0X7BT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Pancreatic triacylglycerol lipase (PNLIP) OTMUZXSW LIPP_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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
2 p-Hydroxybenzyl alcohol inhibits four obesity-related enzymes in vitro. J Biochem Mol Toxicol. 2018 Dec;32(12):e22223. doi: 10.1002/jbt.22223. Epub 2018 Oct 1.