Compound Detail
CHEMBL81418
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Basic Information
| ChEMBL ID | CHEMBL81418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWLXUXBCLJMLLM-MVJHLKBCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.7
MW (Da)
7.87
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of calmodulin-dependent Phosphodiesterase | 7830266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830266 | 10.1021/jm00002a005 | Unchecked | 1 |
| 7830266 | 10.1021/jm00002a005 | Estrogen receptor | 1 |
| 7830266 | 10.1021/jm00002a005 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine