Details of the Drug

General Information of Drug (ID: DMZCS2K)

• Drug Name: (1S,2S)-2-(1H-Imidazol-4-yl)-cyclopentylamine
• Synonyms: CHEMBL289383; (1S,2S)-2-(1H-Imidazol-4-yl)-cyclopentylamine

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); 0.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C8H13N3
  IUPAC Name: (1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
  Canonical SMILES: C1C[C@@H]([C@H](C1)N)C2=CN=CN2
  InChI: InChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1
  InChIKey: MUHUWRJWVGDFJX-BQBZGAKWSA-N
• Cross-matching ID:
  PubChem CID: 10240978
  TTD ID: D0I3TN

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.