Details of the Drug

General Information of Drug (ID: DM8WCJK)

• Drug Name: 4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
• Synonyms: CHEMBL18980; 4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole; BDBM50034707; 151093-64-0; 1H-Imidazole, 4-[(2S,3R)-2-methyl-3-pyrrolidinyl]-

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); 151.21
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H13N3
  IUPAC Name: 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole
  Canonical SMILES: C[C@H]1[C@@H](CCN1)C2=CN=CN2
  InChI: InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1
  InChIKey: FLOJCNYYPGNYBP-NKWVEPMBSA-N
• Cross-matching ID:
  PubChem CID: 10329450
  TTD ID: D01RJV

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] A novel pyrrolidine analog of histamine as a potent, highly selective histamine H3 receptor agonist. J Med Chem. 1995 May 12;38(10):1593-9.