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]
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
CHEBI:8862
CAS Number
54187-04-1
DrugBank ID
DB11738
TTD ID
D06OFS
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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.