Compound Detail
CHEMBL1484
NICARDIPINE 💊 Approved Drug
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💊 Approved Drug
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL1484 |
| Name | NICARDIPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZBBHBTPTTSWHBA-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
35
Targets
67
Activities
3
Assay Types
30
PK Parameters
20
Publications
4
Known Names
9
Indications
Molecular Properties
479.5
MW (Da)
3.68
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1988 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Cardiovascular Diseases Hypertension Muscle Cramp Pre-Eclampsia Aortic Aneurysm, Thoracic Stroke Subarachnoid Hemorrhage Brain Neoplasms Coronary Disease
ATC Classification
C08CA04
nicardipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 58 meas. best 10.59
Ki 7 meas. best 9.08
EC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 10.59 | 8.22 | 0.0 | 2 |
| Sus scrofa CHEMBL613488 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 6.6 | 5.4133 | 250.0 | 3 |
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.42 | 6.4 | 380.0 | 2 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 6.42 | 6.3 | 378.0 | 2 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL1075310 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 6.25 | 5.865 | 560.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 6.02 | 5.2986 | 950.0 | 14 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.81 | 5.81 | 1560.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.8 | 5.775 | 1590.0 | 2 |
| Cytochrome P450 2J2 CHEMBL3491 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL2573 | IC50 | 5.6 | 5.6 | 2500.0 | 2 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.49 | 5.49 | 3250.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.32 | 5.05 | 4800.0 | 2 |
| Equilibrative nucleoside transporter 1 CHEMBL4604 | Ki | 5.27 | 5.27 | 5360.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 5.1 | 5.1 | 7870.0 | 4 |
| ATP-dependent translocase ABCB1 CHEMBL3467 | IC50 | 5.1 | 5.1 | 8000.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.97 | 4.97 | 10590.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.72 | 4.72 | 19080.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.71 | 4.71 | 19600.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 4.7 | 4.7 | 20000.0 | 3 |
| Leishmania chagasi CHEMBL612790 | IC50 | 4.66 | 4.555 | 22000.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 4.66 | 4.66 | 21830.0 | 1 |
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 4.64 | 4.64 | 22800.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.58 | 4.58 | 26500.0 | 1 |
| Malate dehydrogenase, cytoplasmic CHEMBL3560 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.2 | 4.2 | 63800.0 | 1 |
| LLC-MK2 CHEMBL614691 | IC50 | 4.14 | 4.14 | 71590.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 345.26 | ng.hr.mL-1 | Homo sapiens |
| CL | 37.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 115.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 48.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 7.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 48.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 115.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 27.0 | mL.min-1.kg-1 | Macaca |
| CL | 300.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| Cmax | 184.0 | nM | - |
| Cmax | 81.0 | nM | Homo sapiens |
| F | 49.0 | % | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| Fu | 0.095 | - | Homo sapiens |
| Fu | 0.006 | - | Homo sapiens |
| Fu | 0.006 | - | Macaca fascicularis |
| Fu | 0.006 | - | Canis lupus familiaris |
| Fu | 0.004 | - | Cavia porcellus |
| Fu | 0.004 | - | Mus musculus |
| Fu | 0.008 | - | Rattus norvegicus |
| Fu | 0.003 | - | Not specified |
| Fu | 0.008 | - | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine