Compound Detail
CHEMBL1428
NIMODIPINE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL1428 |
| Name | NIMODIPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | UIAGMCDKSXEBJQ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
32
Targets
51
Activities
4
Assay Types
25
PK Parameters
20
Publications
11
Known Names
11
Indications
2
Mechanisms
Molecular Properties
418.4
MW (Da)
2.97
ALogP
8
HBA
1
HBD
117.0
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1988 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mineralocorticoid receptor antagonist | ANTAGONIST | Mineralocorticoid receptor | ✓ | ✓ |
| Voltage-gated L-type calcium channel blocker | BLOCKER | Voltage-gated L-type calcium channel | ✓ | ✓ |
Indications
Cardiovascular Diseases Poisoning Subarachnoid Hemorrhage Cocaine-Related Disorders Infertility Muscle Cramp Neuroma, Acoustic Stroke Intracranial Aneurysm Cerebrovascular Disorders Schizophrenia
ATC Classification
C08CA06
nimodipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Drug Warnings
Black Box Warning
misuse
Activity Summary
IC50 39 meas. best 9.62
Ki 7 meas. best 9.81
EC50 4 meas. best 6.41
Kd 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.81 | 8.3 | 0.2 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.62 | 8.075 | 0.2 | 4 |
| Cavia porcellus CHEMBL369 | IC50 | 7.83 | 7.83 | 14.9 | 1 |
| L-type calcium channel alpha-1c/beta-2/alpha2delta-1 CHEMBL4106164 | IC50 | 7.53 | 7.53 | 29.8 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 6.16 | 6.16 | 690.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL1075310 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 6.0 | 5.885 | 1000.0 | 2 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C CHEMBL4619 | IC50 | 5.91 | 5.91 | 1243.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.86 | 5.86 | 1371.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.76 | 5.76 | 1736.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
| Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A CHEMBL3421 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.66 | 5.53 | 2170.0 | 2 |
| Cytochrome P450 2J2 CHEMBL3491 | IC50 | 5.47 | 5.47 | 3380.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.0571 | 5011.9 | 7 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.07 | 5.07 | 8470.0 | 1 |
| Bile acid receptor CHEMBL2047 | IC50 | 5.05 | 5.05 | 8960.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Voltage-gated calcium channel CHEMBL2363032 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.7 | 4.7 | 20100.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 4.67 | 4.375 | 21620.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 4.51 | 4.51 | 31040.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.49 | 4.49 | 32310.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.37 | 4.37 | 42800.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.35 | 4.35 | 44300.0 | 1 |
| LLC-MK2 CHEMBL614691 | IC50 | 4.02 | 4.02 | 96190.0 | 1 |
| PC-12 CHEMBL612556 | EC50 | 4.01 | 4.01 | 97300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| 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 | 56.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 33.0 | mL.min-1.kg-1 | Macaca |
| CL | 34.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 300.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 195.0 | nM | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| F | 13.0 | % | Homo sapiens |
| Fu | 0.016 | - | Homo sapiens |
| Fu | 0.016 | - | Homo sapiens |
| Fu | 0.008 | - | Homo sapiens |
| Fu | 0.009 | - | Macaca fascicularis |
| Fu | 0.007 | - | Canis lupus familiaris |
| Fu | 0.007 | - | Cavia porcellus |
| Fu | 0.007 | - | Mus musculus |
| Fu | 0.009 | - | Rattus norvegicus |
| Fu | 0.01 | - | Rattus norvegicus |
| MRT | 1.2 | hr | Homo sapiens |
| T1/2 | 1.3 | hr | Homo sapiens |
| T1/2 | 1.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine