Compound Detail
CHEMBL474360
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Basic Information
| ChEMBL ID | CHEMBL474360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WERRNYXYWJLLNX-IKGOIYPNSA-N |
| Parent Compound | CHEMBL536355 |
| Active Moiety | CHEMBL536355 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
5.73
ALogP
5
HBA
0
HBD
36.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Heme oxygenase 1 CHEMBL5035 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Heme oxygenase 2 CHEMBL3348 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2500.0 | nM | 5.6 | Antimalarial activity against Plasmodium falciparum | 16495054 |
| Heme oxygenase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of heme oxygenase-1 in Sprague-Dawley rat spleen microsomal fraction ... | 19268600 |
| CHO | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxicity against CHO cell line | 16495054 |
| Heme oxygenase 2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of heme oxygenase-2 in Sprague-Dawley rat brain microsomal fraction a... | 19268600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16495054 | 10.1016/j.bmcl.2006.01.122 | CHO | 2 |
| 16495054 | 10.1016/j.bmcl.2006.01.122 | Plasmodium falciparum | 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