General Information of the Compound
Compound ID
CP0056760
Compound Name
CHEBI:8862
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Synonyms
(Dicyclopropylmethyl)(4,5-dihydro-2-oxazolyl)ammonium dihydrogen phosphate
2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)-, phosphate (1:1)
2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, phosphate (1:1)
4,5-Dihydro-N-(dicyclopropylmethyl)-2-oxazolamine phosphate (1:1)
59QD64Q32M
85409-38-7
EINECS 287-106-2
N-(dicyclopropylmethyl)-4,5-dihydrooxazol-2-amine
Rilmenidine
Rilmenidine dihydrogen phosphate
Rilmenidine phosphate
S 3341-3
UNII-59QD64Q32M
W-104082
phosphoric acid
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Structure
Formula
C10H16N2O
Molecular Weight
180.251
Canonical SMILES
C1CC1C(NC1=NCCO1)C1CC1
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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)
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InChIKey
CQXADFVORZEARL-UHFFFAOYSA-N
CAS
54187-04-1
Physicochemical Property
logP
1.1508
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 68712
SID: 14772748
ChEMBL ID
CHEMBL289480
DrugBank ID
DB11738
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 177.83 nM
   TI
   LI
   LO
   TS
2
Ki = 300 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 36.31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 181.97 nM
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 42.66 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 70.79 nM
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 12.59 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 288.4 nM
Protein ID: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  3
1
Ki = 11.22 nM
   TI
   LI
   LO
   TS
2
Ki = 12.59 nM
   TI
   LI
   LO
   TS
3
Ki = 83.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Rilmenidine )
Drug Name Rilmenidine
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor alpha-2C (ADRA2C)
Modulator