Compound Detail
CHEMBL204302
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Basic Information
| ChEMBL ID | CHEMBL204302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZCYTZMIWDBOHZ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
5.29
ALogP
4
HBA
1
HBD
74.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.46 | 7.19 | 35.0 | 2 |
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 6.92 | 6.7175 | 120.0 | 4 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35.0 | nM | 7.46 | Inhibition of cPLA2alpha | 20583844 |
| Cytosolic phospholipase A2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human isolated cPLA2-alpha by vesicle assay | 16610804 |
| Cytosolic phospholipase A2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by... | 17320401 |
| Cytosolic phospholipase A2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of cPLA2 from human platelets by RP-HPLC | 20005725 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human platelet cPLA2alpha assessed as inhibition of arachidonic ac... | 20583844 |
| Cytosolic phospholipase A2 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid re... | 16610804 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of FAAH from rat brain microsomes by RP-HPLC | 20005725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610804 | 10.1021/jm051243a | Cytosolic phospholipase A2 | 2 |
| 20583844 | 10.1021/jm1001088 | Unchecked | 2 |
| 20583844 | 10.1021/jm1001088 | No relevant target | 2 |
| 17320401 | 10.1016/j.bmc.2007.02.016 | Cytosolic phospholipase A2 | 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 |
| 20583844 | 10.1021/jm1001088 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine