Compound Detail
CHEMBL5613041
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Basic Information
| ChEMBL ID | CHEMBL5613041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXFLJALJHOYQOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
4.59
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL2823 | Kd | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | Kd | = | 141.0 | nM | 6.85 | Binding affinity to avi-tagged HO-1 (unknown origin) assessed as dissociation co... | 39291011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291011 | 10.1021/acsmedchemlett.4c00121 | Heme oxygenase 1 | 1 |
| 39291011 | 10.1021/acsmedchemlett.4c00121 | Heme oxygenase 2 | 1 |
| 39291011 | 10.1021/acsmedchemlett.4c00121 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine