Compound Detail
CHEMBL2398403
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COC(=O)N1C(=O)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL2398403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYAYYORCSGKDDP-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.65
ALogP
7
HBA
1
HBD
128.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2830 | IC50 | 4.66 | 4.66 | 21740.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
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 | = | 21740.0 | nM | 4.66 | Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alp... | 23688558 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 35100.0 | nM | 4.46 | Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-... | 23688558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine