Details of the Drug

General Information of Drug (ID: DMJ6O43)

• Drug Name: 3-((1H-imidazol-4-yl)methyl)pyridine
• Synonyms: CHEMBL78838; 3-((1H-imidazol-4-yl)methyl)pyridine; BDBM50326297

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); 159.19
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H9N3
  IUPAC Name: 3-(1H-imidazol-5-ylmethyl)pyridine
  Canonical SMILES: C1=CC(=CN=C1)CC2=CN=CN2
  InChI: InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)
  InChIKey: IQMRECYOUIKYGG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9812843
  TTD ID: D0S0HT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] Investigation of the histamine H3 receptor binding site. Design and synthesis of hybrid agonists with a lipophilic side chain. J Med Chem. 2010 Sep 9;53(17):6445-56.