Compound Detail
CHEMBL179494
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Basic Information
| ChEMBL ID | CHEMBL179494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQRVOOHZRJYBIQ-RBBKRZOGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.0
MW (Da)
4.66
ALogP
6
HBA
1
HBD
62.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.8 | 5.6 | 1600.0 | 2 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 5.22 | 4.86 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heme oxygenase 1 | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibitory concentration against heme oxygenase 1 from rat spleen | 15713406 |
| Heme oxygenase 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of heme oxygenase-1 in Sprague-Dawley rat spleen microsomal fraction ... | 19268600 |
| Heme oxygenase 2 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of heme oxygenase-2 in Sprague-Dawley rat brain microsomal fraction a... | 19268600 |
| Heme oxygenase 2 | IC50 | = | 32000.0 | nM | 4.5 | In vitro inhibitory concentration against heme oxygenase 2 from rat brain | 15713406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713406 | 10.1016/j.bmcl.2004.12.075 | Heme oxygenase 1 | 1 |
| 15713406 | 10.1016/j.bmcl.2004.12.075 | Heme oxygenase 2 | 1 |
| 15713406 | 10.1016/j.bmcl.2004.12.075 | Unchecked | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Heme oxygenase 1 | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Heme oxygenase 2 | 1 |
| 19268600 | 10.1016/j.bmc.2009.01.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine