Compound Detail
CHEMBL125651
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COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCCCCC[N+](C)(C)C)C1c1ccccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL125651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMFWHCRTHYQHGI-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
6.48
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | Ki | 5.93 | 5.93 | 1170.0 | 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 | Ki | = | 1170.0 | nM | 5.93 | Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP bindin... | 8246246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246246 | 10.1021/jm00075a034 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine