Compound Detail
CHEMBL2103761
BARNIDIPINE 🧪 Phase II
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🧪 Phase II
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL2103761 |
| Name | BARNIDIPINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VXMOONUMYLCFJD-DHLKQENFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
491.5
MW (Da)
3.82
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
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
ATC Classification
C08CA12
barnidipine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CALCIUM CHANNEL BLOCKERS
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 5.92 | 5.715 | 1200.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.07 | 4.985 | 8600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in... | 22761000 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in... | 22761000 |
| ATP-dependent translocase ABCB1 | IC50 | = | 8600.0 | nM | 5.07 | TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to a... | 11145223 |
| ATP-dependent translocase ABCB1 | IC50 | = | 12600.0 | nM | 4.9 | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical... | 12128170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 22761000 | 10.1002/jat.2784 | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Vascular endothelial growth factor receptor 2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 12128170 | 10.1016/s0928-0987(02)00082-9 | ATP-dependent translocase ABCB1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine