Details of the Drug

General Information of Drug (ID: DM5JDYO)

• Drug Name: 4-(1H-IMIDAZOL-1-YL)PHENOL
• Synonyms: 4-(Imidazol-1-yl)phenol; 10041-02-8; 4-(1h-imidazol-1-yl)phenol; 4-Imidazol-1-yl-phenol; 4-(1-Imidazolyl)Phenol; Phenol, 4-(1H-imidazol-1-yl)-; 1-(p-Hydroxyphenyl)imidazole; 1-(4-Hydroxyphenyl)imidazole; p-(1-imidazolyl)phenol; CYKCUAPYWQDIKR-UHFFFAOYSA-N; 4-imidazolylphenol; (1H& imidazol& 1& yl)phenol (Compound 1); EINECS 233-121-4; 4-imidazol-1-ylphenol; 4m5r; p-(Imidazol-1-yl)phenol; ACMC-209vy5; AC1Q78RW; AC1Q4YG7; 4-(1H-imidazol-yl)phenol; 4(1H-imidazol-1-yl)phenol

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); 160.17
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H8N2O
  IUPAC Name: 4-imidazol-1-ylphenol
  Canonical SMILES: C1=CC(=CC=C1N2C=CN=C2)O
  InChI: InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
  InChIKey: CYKCUAPYWQDIKR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 82315
  CAS Number: 10041-02-8
  DrugBank ID: DB08214
  TTD ID: D0W6VA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_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
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.