Details of the Drug

General Information of Drug (ID: DM2URTK)

• Drug Name: N-(3-(1H-indol-4-yloxy)propyl)cyclopentanamine
• Synonyms: CHEMBL392392; N-(3-(1H-indol-4-yloxy)propyl)cyclopentanamine

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); 258.36
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H22N2O
  IUPAC Name: N-[3-(1H-indol-4-yloxy)propyl]cyclopentanamine
  Canonical SMILES: C1CCC(C1)NCCCOC2=CC=CC3=C2C=CN3
  InChI: InChI=1S/C16H22N2O/c1-2-6-13(5-1)17-10-4-12-19-16-8-3-7-15-14(16)9-11-18-15/h3,7-9,11,13,17-18H,1-2,4-6,10,12H2
  InChIKey: IYOLOIDWTZSJFT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44433248
  TTD ID: D07ROK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Indoloxypropanolamine analogues as 5-HT(1A) receptor antagonists. Bioorg Med Chem Lett. 2007 Oct 15;17(20):5600-4.