Details of the Drug

General Information of Drug (ID: DMIHO0P)

Drug Name

PIPEROXAN

Synonyms

Piperoxan; Benodaine; Piperoxane; 59-39-2; Fourneau 933; Piperoxan [INN:BAN]; Piperoxanum [INN-Latin]; Piperoxane [INN-French]; F933; Piperoxano [INN-Spanish]; 2-Piperidinomethyl-1,4-benzodioxan; 933F; Piperidine, 1-(1,4-benzodioxan-2-ylmethyl)-; BRN 0222516; CHEMBL31836; NCGC00160643-01; Piperidine,1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-; 1,4-Benzodioxane, 2-(piperidinomethyl)-; Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-; 1,4-BENZODIOXAN, 2-(PIPERIDINOMETHYL)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

233.31

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H19NO2
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
Canonical SMILES: C1CCN(CC1)CC2COC3=CC=CC=C3O2
InChI: InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
InChIKey: LYKMMUBOEFYJQG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6040
CAS Number: 59-39-2
TTD ID: D04PYQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	alpha 2 adrenoceptors: classification, localization, mechanisms, and targets for drugs. J Med Chem. 1982 Dec;25(12):1389-401.