Details of the Drug

General Information of Drug (ID: DM13PQW)

Drug Name
Rilmenidine
Synonyms
Rilmenidine phosphate; 85409-38-7; Rilmenidine dihydrogen phosphate; UNII-59QD64Q32M; EINECS 287-106-2; 59QD64Q32M; S 3341-3; 4,5-Dihydro-N-(dicyclopropylmethyl)-2-oxazolamine phosphate (1:1); 2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)-, phosphate (1:1); (Dicyclopropylmethyl)(4,5-dihydro-2-oxazolyl)ammonium dihydrogen phosphate; W-104082; 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, phosphate (1:1); N-(dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine; phosphoric acid
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Approved [1]
ATC Code
C02AC06: Rilmenidine
C02AC: Imidazoline receptor agonists
C02A: ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 180.25
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 7.1 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 8.3 hours [2]
Unbound Fraction
The unbound fraction of drug in plasma is 0.9% [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 4.5 L/kg [2]
Chemical Identifiers
Formula
C10H16N2O
IUPAC Name
N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Canonical SMILES
C1CC1C(C2CC2)NC3=NCCO3
InChI
InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
InChIKey
CQXADFVORZEARL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68712
ChEBI ID
CHEMBL289480
CAS Number
54187-04-1
UNII
P67IM25ID8
DrugBank ID
DB11738
TTD ID
D06OFS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Modulator [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Alpha-2A adrenergic receptor (ADRA2A) OTZFGOTP ADA2A_HUMAN Protein Interaction/Cellular Processes [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypertension
ICD Disease Classification BA00-BA04
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) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Rilmenidine-induced ocular hypotension: role of imidazoline1 and alpha 2 receptors. Curr Eye Res. 1996 Sep;15(9):943-50.
4 Cardiovascular effects of rilmenidine, moxonidine and clonidine in conscious wild-type and D79N alpha2A-adrenoceptor transgenic mice. Br J Pharmacol. 1999 Mar;126(6):1522-30. doi: 10.1038/sj.bjp.0702429.