Compound Detail
CHEMBL475534
NITRENDIPINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL475534 |
| Name | NITRENDIPINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | PVHUJELLJLJGLN-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
60
Activities
4
Assay Types
16
PK Parameters
20
Publications
11
Known Names
2
Indications
1
Mechanisms
Molecular Properties
360.4
MW (Da)
2.57
ALogP
7
HBA
1
HBD
107.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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
C08CA08
nitrendipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 42 meas. best 9.82
Ki 8 meas. best 9.61
EC50 5 meas. best 9.5
Kd 5 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 9.82 | 8.95 | 0.1 | 4 |
| Unchecked CHEMBL612545 | Ki | 9.61 | 9.27 | 0.2 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Ki | 9.6 | 9.6 | 0.2 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Kd | 9.59 | 9.59 | 0.3 | 1 |
| ADMET CHEMBL612558 | Kd | 9.59 | 8.4633 | 0.3 | 3 |
| Molecular identity unknown CHEMBL612546 | EC50 | 9.5 | 8.95 | 0.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.42 | 8.736 | 0.4 | 5 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| PC-12 CHEMBL612556 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Aorta CHEMBL613606 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C CHEMBL4619 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL1075310 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.31 | 5.31 | 4897.8 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.0 | 7943.3 | 7 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.05 | 5.05 | 8960.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 10000.0 | 5 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.68 | 4.68 | 21100.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.65 | 4.625 | 22500.0 | 2 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.57 | 4.57 | 26880.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 4.48 | 4.48 | 33270.0 | 1 |
| Sodium channel alpha subunit CHEMBL2331043 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.42 | 4.42 | 38320.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.41 | 4.41 | 39040.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 4.36 | 4.275 | 43840.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | Ki | 4.13 | 4.13 | 73310.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.kg-1 | - |
| CL | 16.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 25.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 25.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 166.3 | mL.min-1.g-1 | Homo sapiens |
| CL | 75.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 85.0 | mL.min-1.g-1 | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| Fu | 0.02 | - | Homo sapiens |
| MRT | 4.1 | hr | Homo sapiens |
| T1/2 | 0.1233 | hr | Canis lupus familiaris |
| T1/2 | 4.0 | hr | - |
| T1/2 | 8.2 | hr | Homo sapiens |
| Vd | 3.8 | L.kg-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine