Details of the Drug

General Information of Drug (ID: DMYDGH4)

• Drug Name: 4-((1H-imidazol-1-yl)methyl)phenol
• Synonyms: 4-(1h-imidazol-1-ylmethyl)phenol; 1-(4-Hydroxybenzyl)imidazole; 41833-17-4; 4-((1H-imidazol-1-yl)methyl)phenol; Phenol, 4-(1H-imidazol-1-ylmethyl)-; CHEMBL166845; ZEFROCQEWXHIEP-UHFFFAOYSA-N; 4-(imidazolylmethyl)phenol; 4-Hobi; n-p-hydroxybenzylimidazole; AC1L4X2E; AC1Q7A8C; 4-Imidazol-1-ylmethyl-phenol; 4-(1h-imidazolylmethyl)phenol; 4-(imidazol-1-ylmethyl)phenol; SCHEMBL6323414; 4-[(1-imidazolyl)methyl]phenol; CTK4I5281; DTXSID30194643; MolPort-006-827-429; 1-(4-Hydroxybenzyl)-1H-imidazole; ZINC13549136; SBB051635

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 174.2
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H10N2O
  IUPAC Name: 4-(imidazol-1-ylmethyl)phenol
  Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)O
  InChI: InChI=1S/C10H10N2O/c13-10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8,13H,7H2
  InChIKey: ZEFROCQEWXHIEP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 193822
  CAS Number: 41833-17-4
  TTD ID: D0QW7W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 17-alpha-monooxygenase (S17AH)	TTRA5BZ	CP17A_HUMAN	Inhibitor	[1]

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
Steroid 17-alpha-monooxygenase (S17AH)	DTT	CYP17A1	6.87E-01	0.07	0.21

References

• [1] Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as pote... Bioorg Med Chem Lett. 2010 Sep 1;20(17):5345-8.