Compound Detail
CHEMBL2398418
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
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)N(C(=O)C(C)C)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL2398418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQIJWVKWTBZTJF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.07
ALogP
6
HBA
1
HBD
118.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2830 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 6.0 | 6.0 | 990.0 | 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 | = | 500.0 | nM | 6.3 | Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alp... | 23688558 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 990.0 | nM | 6.0 | 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 | Unchecked | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine