Compound Detail
CHEMBL1726
NISOLDIPINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1726 |
| Name | NISOLDIPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VKQFCGNPDRICFG-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
14
Targets
25
Activities
4
Assay Types
15
PK Parameters
20
Publications
14
Known Names
2
Indications
1
Mechanisms
Molecular Properties
388.4
MW (Da)
3.20
ALogP
7
HBA
1
HBD
107.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1995 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Voltage-gated L-type calcium channel blocker | BLOCKER | Voltage-gated L-type calcium channel | ✓ | ✓ |
Indications
Cardiovascular Diseases Hypertension
ATC Classification
C08CA07
nisoldipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 15 meas. best 9.13
Ki 5 meas. best 9.32
EC50 4 meas. best 5.1
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.32 | 7.7167 | 0.5 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.13 | 7.6233 | 0.7 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 7.75 | 7.75 | 18.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 7.1 | 6.62 | 80.0 | 2 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.64 | 5.64 | 2278.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | IC50 | 5.39 | 5.39 | 4058.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.39 | 5.39 | 4024.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 5.15 | 5.15 | 7120.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.1 | 5.0 | 7900.0 | 3 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 4.5 | 4.5 | 31600.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.48 | 4.48 | 33000.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.36 | 4.36 | 44100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 52.05 | ng.hr.mL-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 300.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 12.9 | nM | Homo sapiens |
| Excretion | 60.0 | % | Homo sapiens |
| F | 5.0 | % | Homo sapiens |
| Fu | 0.003 | - | Homo sapiens |
| Fu | 0.003 | - | Homo sapiens |
| MRT | 6.5 | hr | Homo sapiens |
| T1/2 | 11.0 | hr | Homo sapiens |
| T1/2 | 13.7 | hr | Homo sapiens |
| Tmax | 9.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine