Details of the Drug

General Information of Drug (ID: DM1RE9Q)

• Drug Name: 2,3,4,5-Tetrahydro-1H-benzo[c]azepine
• Synonyms: 2,3,4,5-Tetrahydro-1H-benzo[c]azepine; 7216-22-0; 2,3,4,5-tetrahydro-1H-2-benzazepine; 1H-2-Benzazepine, 2,3,4,5-tetrahydro-; CHEMBL118310; SCHEMBL233066; ARK042; CTK2H2810; DTXSID00440260; SIQBPWRTJNBBER-UHFFFAOYSA-N; MolPort-020-016-004; BDBM50052883; ANW-49031; ZINC13516868; AKOS005264678; MCULE-2809792553; AB49623; 2,3,4,5-tetrahydro 1H-2-benzazepine; BS-13541; BR-76361; AJ-64016; TC-137776; DB-074526; W8089; ST24021451; FT-0707305; 4CH-000440; S-5095; 2,3,4,5-tetrahydro-1H-benzo[c]azepine, AldrichCPR

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); 147.22
  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: C10H13N
  IUPAC Name: 2,3,4,5-tetrahydro-1H-2-benzazepine
  Canonical SMILES: C1CC2=CC=CC=C2CNC1
  InChI: InChI=1S/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2
  InChIKey: SIQBPWRTJNBBER-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10464472
  CAS Number: 7216-22-0
  TTD ID: D0QH0X

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

References

• [1] Effect of ring size or an additional heteroatom on the potency and selectivity of bicyclic benzylamine-type inhibitors of phenylethanolamine N-meth... J Med Chem. 1996 Aug 30;39(18):3539-46.