Compound Detail
CHEMBL4129393
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Basic Information
| ChEMBL ID | CHEMBL4129393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXPNDOQLDVUOJO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
0.59
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High mobility group protein B1 CHEMBL2311236 | Kd | 8.83 | 8.83 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High mobility group protein B1 | Kd | = | 1.48 | nM | 8.83 | Binding affinity to recombinant HMGB1 box A (unknown origin) | 29268019 |
| High mobility group protein B1 | Kd | = | 1.48 | nM | 8.83 | Binding affinity to recombinant HMGB1 box B (unknown origin) | 29268019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29268019 | 10.1021/acs.jmedchem.7b01136 | High mobility group protein B1 | 2 |
Data from ChEMBL 36 via Core Engine