Compound Detail
CHEMBL4568996
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Basic Information
| ChEMBL ID | CHEMBL4568996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKOCPQACEHKSNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
4.20
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 2 CHEMBL3348 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 2 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins f... | 31550661 |
| Heme oxygenase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins ... | 31550661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31550661 | 10.1016/j.ejmech.2019.111703 | Heme oxygenase 1 | 1 |
| 31550661 | 10.1016/j.ejmech.2019.111703 | Heme oxygenase 2 | 1 |
Data from ChEMBL 36 via Core Engine