Compound Detail
CHEMBL540111
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Basic Information
| ChEMBL ID | CHEMBL540111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJXQSZIMPOQEED-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190108 |
| Active Moiety | CHEMBL1190108 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.40
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Sprague-Dawley rat spleen microsome HO1 | 17339115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17339115 | 10.1016/j.bmc.2007.02.034 | Heme oxygenase 1 | 1 |
| 17339115 | 10.1016/j.bmc.2007.02.034 | Heme oxygenase 2 | 1 |
| 17339115 | 10.1016/j.bmc.2007.02.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine