Details of the Drug

General Information of Drug (ID: DM0UZHL)

Drug Name
1-(2-(benzyloxy)phenyl)piperazine
Synonyms
1-(2-(benzyloxy)phenyl)piperazine; 96221-84-0; 1-(2-Benzyloxy-phenyl)-piperazine; CHEMBL582928; 1-[2-(benzyloxy)phenyl]piperazine; SCHEMBL4673484; 1-(2-benzyloxyphenyl)piperazine; CTK7D1689; ZINC2527252; BDBM50299797; 9395AH; AKOS010941582; AB19552; AJ-37911; DA-00144; BBV-33344054; KB-212806; AX8291986; FT-0752442; Z-7800
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 268.35
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H20N2O
IUPAC Name
1-(2-phenylmethoxyphenyl)piperazine
Canonical SMILES
C1CN(CCN1)C2=CC=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKey
PPQUPQGZDGZYJI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22615724
ChEBI ID
CHEMBL582928
TTD ID
D0ZU5W
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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 Inhibitor [1]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [1]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]
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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
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References

1 Discovery and pharmacological characterization of aryl piperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6604-7.