Details of the Drug

General Information of Drug (ID: DM0P5Z9)

• Drug Name: UCL1972
• Synonyms: CHEMBL289855; UCL-1972; 1-[5-(4-nitrophenoxy)pentyl]pyrrolidine; 1-(5-(4-nitrophenoxy)pentyl)pyrrolidine; SCHEMBL490968; BDBM50089295; 1-[5-(4-Nitro-phenoxy)-pentyl]-pyrrolidine; L019446

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); 278.35
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H22N2O3
  IUPAC Name: 1-[5-(4-nitrophenoxy)pentyl]pyrrolidine
  Canonical SMILES: C1CCN(C1)CCCCCOC2=CC=C(C=C2)[N+](=O)[O-]
  InChI: InChI=1S/C15H22N2O3/c18-17(19)14-6-8-15(9-7-14)20-13-5-1-2-10-16-11-3-4-12-16/h6-9H,1-5,10-13H2
  InChIKey: ITOJPDNONZGUKB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9925627
  TTD ID: D0RP8X

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	Antagonist	[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] The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.