Compound Detail
CHEMBL495235
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Basic Information
| ChEMBL ID | CHEMBL495235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSFIKHFVWBEFKU-MUUNZHRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.8
MW (Da)
7.90
ALogP
4
HBA
2
HBD
42.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-1 CHEMBL6093 | Kd | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-1 | Kd | = | 18.0 | nM | 7.75 | Binding affinity to calmodulin | 18459732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459732 | 10.1021/jm701406e | Calmodulin-1 | 1 |
Data from ChEMBL 36 via Core Engine