Compound Detail
CHEMBL405876
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COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c(OC)c(OC)c2)nc2sccn12
Basic Information
| ChEMBL ID | CHEMBL405876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFECPSWGPHZOLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.67
ALogP
11
HBA
1
HBD
109.6
PSA (Ų)
0.47
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Activity at L type calcium channel in K+ depolarized guinea pig longitudinal smo... | 18303827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18303827 | 10.1021/jm070681+ | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine