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Compound Detail

CHEMBL1705

CLONIDINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.Clc1cccc(Cl)c1NC1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1705
Name CLONIDINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key ZNIFSRGNXRYGHF-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL134
Active Moiety CHEMBL134

Known Names

Catapres Catapres p.l. Catapres tts 1 Catapres tts 2 Catapres tts 3 Clonidine hcl Clonidine hydrochloride Clonidine hydrochloride component of clorpres Clonidine hydrochloride component of combipres Dichloranilino imidazolin Dixarit Duraclon +5 more
10
Targets
12
Activities
2
Assay Types
0
PK Parameters
20
Publications
17
Known Names
3
Indications
1
Mechanisms

Molecular Properties

230.1
MW (Da)
2.36
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1974
Availability Prescription
Chirality Achiral

Routes of Administration

Oral Parenteral

Flags

Black Box Warning
USAN Year 1969

Extended Properties

Molecular Formula C9H10Cl3N3
MW 266.56
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.82

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adrenergic receptor alpha-2 agonist AGONIST Adrenergic receptor alpha-2 ✓ ✓

Indications

Attention Deficit Disorder with Hyperactivity Hypertension Pain

Drug Warnings

Black Box Warning
General Warning
Country: United States

Activity Summary

Ki 11 meas. best 7.68
EC50 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-2A adrenergic receptor
CHEMBL1867
 EC50 8.28 8.28 5.3 1
Alpha-2A adrenergic receptor
CHEMBL1867
 Ki 7.68 7.235 20.9 2
Alpha-2B adrenergic receptor
CHEMBL1942
 Ki 7.03 7.03 94.1 1
Alpha-2C adrenergic receptor
CHEMBL1916
 Ki 6.37 6.37 432.0 1
Alpha-1A adrenergic receptor
CHEMBL229
 Ki 6.24 6.24 575.6 1
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 6.06 6.06 878.5 1
Alpha-1D adrenergic receptor
CHEMBL223
 Ki 5.7 5.7 1979.2 1
Alpha-1B adrenergic receptor
CHEMBL232
 Ki 5.58 5.58 2627.5 1
Sigma intracellular receptor 2
CHEMBL4105907
 Ki 5.56 5.56 2775.9 1
5-hydroxytryptamine receptor 2C
CHEMBL225
 Ki 5.16 5.16 6953.4 1
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 5.04 5.04 9141.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-2A adrenergic receptor EC50 = 5.259 nM 8.28 GPCR PRESTO-Tango dose-response in agonist mode with target: ADRA2A -
Alpha-2A adrenergic receptor Ki = 20.89 nM 7.68 Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal corte... 24908653
Alpha-2B adrenergic receptor Ki = 94.09 nM 7.03 PDSP Secondary Binding target: ADRA2B - Compounds are tested at 10 uM concentrat... -
Alpha-2A adrenergic receptor Ki = 163.03 nM 6.79 PDSP Secondary Binding target: ADRA2A - Compounds are tested at 10 uM concentrat... -
Alpha-2C adrenergic receptor Ki = 431.96 nM 6.37 PDSP Secondary Binding target: ADRA2C - Compounds are tested at 10 uM concentrat... -
Alpha-1A adrenergic receptor Ki = 575.64 nM 6.24 PDSP Secondary Binding target: ADRA1A - Compounds are tested at 10 uM concentrat... -
5-hydroxytryptamine receptor 7 Ki = 878.51 nM 6.06 PDSP Secondary Binding target: HTR7 - Compounds are tested at 10 uM concentratio... -
Alpha-1D adrenergic receptor Ki = 1979.25 nM 5.7 PDSP Secondary Binding target: ADRA1D - Compounds are tested at 10 uM concentrat... -
Alpha-1B adrenergic receptor Ki = 2627.54 nM 5.58 PDSP Secondary Binding target: ADRA1B - Compounds are tested at 10 uM concentrat... -
Sigma intracellular receptor 2 Ki = 2775.87 nM 5.56 PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat... -
5-hydroxytryptamine receptor 2C Ki = 6953.44 nM 5.16 PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati... -
5-hydroxytryptamine receptor 2A Ki = 9141.13 nM 5.04 PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058564 HEK-293T 10
- 10.6019/CHEMBL5058564 Fibroblast 7
- 10.6019/CHEMBL5058564 U2OS 5
201756 10.1021/jm00222a020 Rattus norvegicus 3
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 2
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
24908653 10.1016/j.ejmech.2014.05.057 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine