Compound Detail
CHEMBL1788132
LOFEXIDINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1788132 |
| Name | LOFEXIDINE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DWWHMKBNNNZGHF-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL17860 |
| Active Moiety | CHEMBL17860 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
7
Known Names
2
Indications
1
Mechanisms
Molecular Properties
259.1
MW (Da)
2.76
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Adrenergic receptor alpha-2 agonist | AGONIST | Adrenergic receptor alpha-2 | ✓ | ✓ |
Indications
Substance Withdrawal Syndrome Opioid-Related Disorders
Activity Summary
IC50 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 8.44 | 7.9833 | 3.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 3.6 | nM | 8.44 | Compound was tested for its ability to inhibit specific binding of [3H]clonidine... | 2879913 |
| Adrenergic receptor alpha-2 | IC50 | = | 7.25 | nM | 8.14 | Compound was tested for its ability to inhibit specific binding of [3H]clonidine... | 2879913 |
| Adrenergic receptor alpha-2 | IC50 | = | 43.0 | nM | 7.37 | Compound was tested for its ability to inhibit specific binding of [3H]clonidine... | 2879913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2879913 | 10.1021/jm00157a011 | Rattus norvegicus | 24 |
| 2879913 | 10.1021/jm00157a011 | Adrenergic receptor alpha-2 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513141 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine