Details of the Drug

General Information of Drug (ID: DM3MXI5)

Drug Name
7-methoxy-1-naphthylpiperazine
Synonyms 7-methoxy-1-naphthylpiperazine; GTPL6; SCHEMBL9478699; oxiran-2-ylmethyl N-[2-(dimethyl-trimethylsilylsilyl)ethyl]carbamate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 275.49
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C11H25NO3Si2
IUPAC Name
oxiran-2-ylmethyl N-[2-[dimethyl(trimethylsilyl)silyl]ethyl]carbamate
Canonical SMILES
C[Si](C)(C)[Si](C)(C)CCNC(=O)OCC1CO1
InChI
InChI=1S/C11H25NO3Si2/c1-16(2,3)17(4,5)7-6-12-11(13)15-9-10-8-14-10/h10H,6-9H2,1-5H3,(H,12,13)
InChIKey
RMYUPIFLALKWOD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14533720
TTD ID
D0K0FI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Agonist [2]
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Agonist [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6).
2 5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. J Med Chem. 1997 Nov 21;40(24):3974-8.