Compound Detail
CHEMBL1059
PREGABALIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1059 |
| Name | PREGABALIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AYXYPKUFHZROOJ-ZETCQYMHSA-N |
| Therapeutic | ✓ Yes |
4
Targets
19
Activities
2
Assay Types
13
PK Parameters
20
Publications
23
Known Names
20
Indications
1
Mechanisms
Molecular Properties
159.2
MW (Da)
1.08
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2004 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Voltage-gated calcium channel modulator | MODULATOR | Voltage-gated calcium channel | ✓ | ✓ |
Indications
Anxiety Disorders Anxiety Disorders Epilepsy Epilepsy Fibromyalgia Neuralgia Neuralgia Seizures Seizures Spinal Cord Injuries Anxiety Breast Neoplasms Burning Mouth Syndrome Chronic Pain Dementia Depressive Disorder Diabetic Neuropathies Epilepsies, Partial Epilepsy, Complex Partial Epilepsy, Tonic-Clonic
ATC Classification
N02BF02
pregabalin
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Activity Summary
IC50 14 meas. best 7.43
Ki 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 CHEMBL1919 | Ki | 7.72 | 7.72 | 19.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.43 | 7.1471 | 37.0 | 7 |
| Voltage-dependent calcium channel alpha2delta subunit CHEMBL3985 | IC50 | 7.14 | 7.12 | 73.0 | 2 |
| Voltage-dependent calcium channel subunit alpha-2/delta-2 CHEMBL3896 | Ki | 7.0 | 7.0 | 99.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14800.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 18940000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 5.8 | g.hr | Rattus norvegicus |
| AUC | 18.0 | g.hr | Rattus norvegicus |
| CL | 2.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.77 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 8415.5 | nM | Mus musculus |
| F | 83.0 | % | Rattus norvegicus |
| F | 88.0 | % | Mus musculus |
| T1/2 | 2.7 | hr | Rattus norvegicus |
| T1/2 | 2.54 | hr | Mus musculus |
| T1/2 | 1.5 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine