Compound Detail
CHEMBL329415
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Basic Information
| ChEMBL ID | CHEMBL329415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFAKHEWADWLSJX-ZIQRGBBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
5.41
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | Kd | 10.37 | 10.37 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | Kd | = | 0.043 | nM | 10.37 | Binding affinity for NF-kappa B transcription factor of microvessel endothelial ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80697-1 | Nuclear factor NF-kappa-B complex | 2 |
Data from ChEMBL 36 via Core Engine