Compound Detail
CHEMBL75880
PERHEXILINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL75880 |
| Name | PERHEXILINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CYXKNKQEMFBLER-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
20
Targets
41
Activities
3
Assay Types
5
PK Parameters
20
Publications
2
Known Names
5
Indications
Molecular Properties
277.5
MW (Da)
5.30
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.74
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Withdrawn |
| Chirality | Racemic |
Indications
Cardiovascular Diseases Cardiomyopathy, Hypertrophic Heart Failure Heart Failure, Diastolic Diabetic Cardiomyopathies
ATC Classification
C08EX02
perhexiline
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 31 meas. best 6.29
Ki 9 meas. best 6.33
Kd 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.7 | 6.7 | 199.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.33 | 6.08 | 465.8 | 3 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.3 | 6.3 | 500.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.29 | 5.492 | 510.6 | 5 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.18 | 6.18 | 652.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.18 | 6.18 | 661.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.11 | 6.11 | 785.4 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.03 | 6.03 | 940.8 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.96 | 5.96 | 1093.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.96 | 5.96 | 1092.4 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.83 | 5.83 | 1485.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.58 | 5.58 | 2599.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.57 | 5.57 | 2710.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.51 | 5.51 | 3118.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.49 | 5.49 | 3267.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.48 | 5.48 | 3294.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 5.45 | 5.45 | 3591.9 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.39 | 5.39 | 4064.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.2 | 5.2 | 6380.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.11 | 5.11 | 7762.5 | 6 |
| Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.84 | 4.84 | 14360.0 | 1 |
| KB CHEMBL398 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL3238 | IC50 | 4.14 | 4.14 | 72800.0 | 1 |
| Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
| Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL4037 | IC50 | 4.11 | 4.105 | 77000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2114.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 876.0 | ng.hr.mL-1 | Mus musculus |
| T1/2 | 0.2333 | hr | Homo sapiens |
| T1/2 | 0.35 | hr | Rattus norvegicus |
| T1/2 | 1.667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine