Details of the Drug

General Information of Drug (ID: DMS5ICY)

• Drug Name: 10,11-dihydro-5H-dibenzo[b,f]azepine
• Synonyms: Iminodibenzyl; 494-19-9; 10,11-Dihydro-5H-dibenzo[b,f]azepine; 10,11-Dihydro-5H-dibenz[b,f]azepine; Iminobibenzyl; 2,2'-Iminodibenzyl; 2,2'-Iminobibenzyl; 5H-Dibenz[b,f]azepine, 10,11-dihydro-; RP 23669; UNII-262BX7OE3U; NSC 72110; 10,11-Dihydro-5-dibenz(b,f)azepine; 6,11-dihydro-5H-benzo[b][1]benzazepine; 10,11-Dihydrodibenz(b,f)azepine; EINECS 207-787-1; 10,11-Dihydro-5H-dibenz(b,f)azepine; BRN 0152732; CHEMBL63054; 5H-Dibenz(b,f)azepine, 10,11-dihydro-; AI3-39165; 262BX7OE3U; ZSMRRZONCYIFNB-UHFFFAOYSA-N

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); 195.26
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H13N
  IUPAC Name: 6,11-dihydro-5H-benzo[b][1]benzazepine
  Canonical SMILES: C1CC2=CC=CC=C2NC3=CC=CC=C31
  InChI: InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
  InChIKey: ZSMRRZONCYIFNB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10308
  CAS Number: 494-19-9
  TTD ID: D04KGK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_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 3A receptor (HTR3A)	DTT	HTR3A	6.60E-01	1.08E-02	0.04

References

• [1] Molecular properties of psychopharmacological drugs determining non-competitive inhibition of 5-HT3A receptors. Eur J Med Chem. 2009 Jun;44(6):2667-72.