Details of the Drug

General Information of Drug (ID: DMFW6Q0)

• Drug Name: 8-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
• Synonyms: CHEMBL443258; 8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole; 126718-22-7; 8-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole; SCHEMBL5917499; MolPort-022-445-855; BDBM50108304; ZINC13586842; AKOS022692454; MCULE-6563903231; NE39901; 8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole

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); 206.67
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H11ClN2
  IUPAC Name: 8-chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
  Canonical SMILES: C1CN2C(=CC3=C2C=CC(=C3)Cl)CN1
  InChI: InChI=1S/C11H11ClN2/c12-9-1-2-11-8(5-9)6-10-7-13-3-4-14(10)11/h1-2,5-6,13H,3-4,7H2
  InChIKey: QKGDOWUCRMVFPY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14595512
  TTD ID: D04UCV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] Evaluation of isotryptamine derivatives at 5-HT(2) serotonin receptors. Bioorg Med Chem Lett. 2002 Jan 21;12(2):155-8.