Compound Detail
CHEMBL452076
CILNIDIPINE 🧪 Phase III
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🧪 Phase III
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL452076 |
| Name | CILNIDIPINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | KJEBULYHNRNJTE-DHZHZOJOSA-N |
9
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
3
Indications
1
Mechanisms
Molecular Properties
492.5
MW (Da)
4.28
ALogP
8
HBA
1
HBD
117.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
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 Polycystic Kidney, Autosomal Dominant
ATC Classification
C08CA14
cilnidipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 20 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 8.96 | 8.96 | 1.1 | 3 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 5.8 | 4.885 | 1600.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.5967 | 1600.0 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 5.28 | 5.09 | 5300.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.25 | 5.25 | 5620.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.82 | 4.82 | 15260.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 4.67 | 4.67 | 21440.0 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 4.55 | 4.515 | 28420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H1 receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 22761000 | 10.1002/jat.2784 | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 20934347 | 10.1016/j.bmc.2010.09.015 | Unchecked | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 20934347 | 10.1016/j.bmc.2010.09.015 | Leishmania chagasi | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 20934347 | 10.1016/j.bmc.2010.09.015 | LLC-MK2 | 1 |
| 39026639 | 10.1039/d4md00336e | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
| 20934347 | 10.1016/j.bmc.2010.09.015 | ADMET | 1 |
| 18684623 | 10.1016/j.bmcl.2008.07.096 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine