Compound Detail
CHEMBL284906
NICORANDIL 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL284906 |
| Name | NICORANDIL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | LBHIOVVIQHSOQN-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
3
Activities
1
Assay Types
6
PK Parameters
20
Publications
4
Known Names
8
Indications
Molecular Properties
211.2
MW (Da)
0.02
ALogP
5
HBA
1
HBD
94.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases Myocardial Infarction Severe Acute Respiratory Syndrome Cognitive Dysfunction Coronary Disease Dementia Premature Birth Radiation Pneumonitis
ATC Classification
C01DX16
nicorandil
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Sus scrofa CHEMBL613488 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 121180.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 122640.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 201865.71 | nM | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
| T1/2 | 0.4633 | hr | Rattus norvegicus |
| Tmax | 0.67 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 1100.0 | nM | 5.96 | Vasorelaxation activity in the isolated endothelium-denuded rabbit aorta | 7837224 |
| Sus scrofa | IC50 | = | 3200.0 | nM | 5.5 | Vasorelaxant effect on KCl-Induced contraction of porcine coronary artery | 8809167 |
| Rattus norvegicus | IC50 | = | 13000.0 | nM | 4.89 | Vasorelaxant effect on KCl-Induced contraction of rat aorta | 8809167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24685703 | 10.1016/j.bmc.2014.03.011 | Mus musculus | 11 |
| 7837224 | 10.1021/jm00001a018 | Rattus norvegicus | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H1 receptor | 3 |
| 24685703 | 10.1016/j.bmc.2014.03.011 | Plasma | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| - | 10.1016/S0960-894X(01)80415-7 | Cavia porcellus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 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 | 5-hydroxytryptamine receptor 2B | 2 |
Data from ChEMBL 36 via Core Engine