Details of the Drug

General Information of Drug (ID: DM5ROS1)

• Drug Name: (1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine
• Synonyms: CHEMBL40378; (1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine; BDBM50034706; AKOS006360607

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); 139.2
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H13N3
  IUPAC Name: (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine
  Canonical SMILES: C[C@@H](C1=CN=CN1)[C@@H](C)N
  InChI: InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
  InChIKey: QQTWSOMOTYJIQP-PHDIDXHHSA-N
• Cross-matching ID:
  PubChem CID: 10374533
  TTD ID: D02SWF

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.