Details of the Drug

General Information of Drug (ID: DMYKG8R)

• Drug Name: Oxypertine
• Synonyms: 1H-Indole, 5,6-dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-; 5,6-Dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole; 5,6-Dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-indole; 5JGL4G25R7; BRN 0899339; DO 180; EINECS 205-818-3; Equipertine; Forit; Opertil; Oxipertina [INN-Spanish]; Oxipertine; Oxipertinum; Oxypertine [USAN:INN:BAN:JAN]; Oxypertinum [INN-Latin]; UNII-5JGL4G25R7; WIN 18501-2; XCWPUUGSGHNIDZ-UHFFFAOYSA-N; oxypertine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 379.504
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C23H29N3O2
  IUPAC Name: 5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
  Canonical SMILES: CC1=C(C2=CC(=C(C=C2N1)OC)OC)CCN3CCN(CC3)C4=CC=CC=C4
  InChI: InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3
  InChIKey: XCWPUUGSGHNIDZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4640
  ChEBI ID: CHEBI:31952
  CAS Number: 153-87-7
  DrugBank ID: DB13403
  VARIDT ID: DR01227

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Sodium-dependent serotonin transporter (SLC6A4)	DTAV4SY	SC6A4_HUMAN	Substrate	[1]

References

• [1] Serotonin transporter gene and treatment of alcoholism.