Compound Detail
CHEMBL484954
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Basic Information
| ChEMBL ID | CHEMBL484954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAEVCUFENRFMMX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.68
ALogP
6
HBA
1
HBD
94.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of cPLA2 in human platelets assessed as arachidonic acid release | 19327988 |
| Cytosolic phospholipase A2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of cPLA2 from human platelets by RP-HPLC | 20005725 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of FAAH from rat brain microsomes by RP-HPLC | 20005725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19327988 | 10.1016/j.bmcl.2009.03.019 | No relevant target | 1 |
| 19327988 | 10.1016/j.bmcl.2009.03.019 | Cytosolic phospholipase A2 | 1 |
| 19327988 | 10.1016/j.bmcl.2009.03.019 | Liver microsomes | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Cytosolic phospholipase A2 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Fatty-acid amide hydrolase 1 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine