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
ATC Code
N05AE01: Oxypertine
N05AE: Indole derivatives
N05A: ANTIPSYCHOTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
CHEMBL31952
CAS Number
153-87-7
UNII
5JGL4G25R7
DrugBank ID
DB13403
VARIDT ID
DR01227
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Serotonin transporter gene and treatment of alcoholism.