Details of the Drug

General Information of Drug (ID: DMSW89U)

• Drug Name: 2-[1-(2-Chloro-phenyl)-1H-pyrrol-2-yl]-ethylamine
• Synonyms: CHEMBL360277

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); 220.7
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C12H13ClN2
  IUPAC Name: 2-[1-(2-chlorophenyl)pyrrol-2-yl]ethanamine
  Canonical SMILES: C1=CC=C(C(=C1)N2C=CC=C2CCN)Cl
  InChI: InChI=1S/C12H13ClN2/c13-11-5-1-2-6-12(11)15-9-3-4-10(15)7-8-14/h1-6,9H,7-8,14H2
  InChIKey: QDZRUXBRYDSOHU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44388886
  TTD ID: D0U8RZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 7 receptor (HTR7)	TTO9X1H	5HT7R_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 7 receptor (HTR7)	DTT	HTR7	9.79E-01	-0.08	-0.32

References

• [1] Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands. Bioorg Med Chem Lett. 2005 Aug 15;15(16):3753-7.