Details of the Drug

General Information of Drug (ID: DMP8OKA)

• Drug Name: SCH-12679
• Synonyms: Trimopam; Sch-12679; 20012-08-2; CHEMBL343569; N-Methyl-1-phenyl-7,8-dimethoxy-2,3,4,5-tetrahydro-3-benzazepine; 7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; AC1L1JG0; SCHEMBL11704977; ICPHJSKVAZMKIV-UHFFFAOYSA-N; AC1Q5689; BDBM50067817; 2,3,4,5-Tetrahydro-7,8-dimethoxy-3-methyl-1-phenyl-1H-3-benzazepine; d-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine; NCGC00162352-01; N-methyl-1-phenyl-7,8-dimethoxy-2,3,4,5-tetra-hydro-3-benzazepine

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); 297.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H23NO2
  IUPAC Name: 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
  Canonical SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC
  InChI: InChI=1S/C19H23NO2/c1-20-10-9-15-11-18(21-2)19(22-3)12-16(15)17(13-20)14-7-5-4-6-8-14/h4-8,11-12,17H,9-10,13H2,1-3H3
  InChIKey: ICPHJSKVAZMKIV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5024
  CAS Number: 20012-08-2
  TTD ID: D0P2YV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_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
Dopamine D1 receptor (D1R)	DTT	DRD1	8.99E-01	-0.06	-0.3

References

• [1] Modified ibogaine fragments: synthesis and preliminary pharmacological characterization of 3-ethyl-5-phenyl-1,2,3,4,5, 6-hexahydroazepino[4,5-b]ben... J Med Chem. 1998 Nov 5;41(23):4486-91.