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Compound Detail

CHEMBL19236

MOXONIDINE
💊 Approved Drug
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💊 Approved Drug
COc1nc(C)nc(Cl)c1NC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19236
Name MOXONIDINE
Phase Approved
Structure Type MOL
InChI Key WPNJAUFVNXKLIM-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

BDF-5896 BDF5896 BE-5895 BE5895 Cynt Fisiotens LY-326869 LY326869 Moxonidina Moxonidine Normatens Physiotens
8
Targets
14
Activities
2
Assay Types
9
PK Parameters
20
Publications
12
Known Names
3
Indications
1
Mechanisms

Molecular Properties

241.7
MW (Da)
0.82
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1991
Availability Unknown
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1998

Extended Properties

Molecular Formula C9H12ClN5O
MW 241.68
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.89

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Nischarin agonist AGONIST Nischarin ✓ ✓

Indications

Hypertension Heart Diseases Hypotension, Orthostatic

ATC Classification

C02AC05
moxonidine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: ANTIHYPERTENSIVES

Activity Summary

Ki 11 meas. best 9.7
IC50 3 meas. best 8.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.7 6.8767 0.2 3
Nischarin
CHEMBL3923
 IC50 8.45 8.45 3.5 1
Nischarin
CHEMBL3923
 Ki 8.38 7.815 4.2 2
Adrenergic receptor alpha-2
CHEMBL2095158
 Ki 7.12 7.12 75.0 1
Nischarin
CHEMBL5221
 Ki 7.11 7.11 77.8 1
Alpha-2A adrenergic receptor
CHEMBL1867
 Ki 6.82 6.82 150.0 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 Ki 6.4 6.4 401.2 1
5-hydroxytryptamine receptor 1A
CHEMBL273
 IC50 6.15 6.15 702.1 1
Alpha-2B adrenergic receptor
CHEMBL266
 Ki 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
 IC50 5.83 5.83 1476.4 1
Alpha-2C adrenergic receptor
CHEMBL1916
 Ki 5.7 5.7 2000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 11.0 mL.min-1.kg-1 Homo sapiens
CL 3.5 mL.min-1.kg-1 Homo sapiens
CL 11.0 mL.min-1.kg-1 Homo sapiens
CL 11.0 mL.min-1.kg-1 Homo sapiens
CL 3.0 uL.min-1.(10^6cells)-1 Homo sapiens
Fu 0.93 - Homo sapiens
Fu 0.93 - Homo sapiens
MRT 2.7 hr Homo sapiens
T1/2 2.2 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.2 nM 9.7 Displacement of [3H]clonidine from imidazoline I1 receptor high affinity site in... 34118720
Nischarin IC50 = 3.548 nM 8.45 Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presenc... 32150414
Nischarin Ki = 4.198 nM 8.38 Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... 18621536
Nischarin Ki = 56.0 nM 7.25 Displacement of [3H]-clonidine from bovine imidazoline receptor I-1 8632424
Adrenergic receptor alpha-2 Ki = 75.0 nM 7.12 Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cel... 25521963
Nischarin Ki = 77.8 nM 7.11 Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after ... 25521963
Alpha-2A adrenergic receptor Ki = 150.0 nM 6.82 Binding affinity for human Alpha-2A adrenergic receptor 8632424
5-hydroxytryptamine receptor 1A Ki = 401.2 nM 6.4 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: ... -
5-hydroxytryptamine receptor 1A IC50 = 702.1 nM 6.15 DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: ... -
Unchecked Ki = 984.3 nM 6.01 DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) -
Alpha-2B adrenergic receptor Ki = 1000.0 nM 6.0 Binding affinity for rat Alpha-2B adrenergic receptor 8632424
Unchecked IC50 = 1476.4 nM 5.83 DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) -
Alpha-2C adrenergic receptor Ki = 2000.0 nM 5.7 Binding affinity for human Alpha-2C adrenergic receptor 8632424
Unchecked Ki = 12000.0 nM 4.92 Displacement of [3H]clonidine from imidazoline I1 receptor low affinity site in ... 34118720

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 467
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
20070106 10.1021/jm901371v Homo sapiens 8
18426954 10.1124/dmd.108.020479 ADMET 4
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
27265687 10.1016/j.bmc.2016.05.043 K562 2
- 10.6019/CHEMBL3301361 ADMET 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
34118720 10.1016/j.ejmech.2021.113540 Unchecked 2
19445515 10.1021/jm900403j Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2

Data from ChEMBL 36 via Core Engine