Compound Detail
CHEMBL1085637
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Basic Information
| ChEMBL ID | CHEMBL1085637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTOJZPHWNDZOPQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
5.62
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.8867 | 12.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human platelet cPLA2alpha assessed as inhibition of arachidonic ac... | 20583844 |
| Cytosolic phospholipase A2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human platelet cytosolic phospholipase alpha-2 using 1-stearoyl-2-... | 27810597 |
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of porcine cytosolic phospholipase A2 alpha using SAPC and 2-dioleoyl... | 36495814 |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of TPA-induced cPLA2alpha in human platelets assessed as inhibition o... | 20583844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20583844 | 10.1021/jm1001088 | Mus musculus | 7 |
| 20583844 | 10.1021/jm1001088 | ADMET | 4 |
| 20583844 | 10.1021/jm1001088 | Plasma | 4 |
| 27810597 | 10.1016/j.ejmech.2016.10.039 | NADPH--cytochrome P450 reductase | 3 |
| 21067218 | 10.1021/jm101094p | Intestine | 2 |
| 36495814 | 10.1016/j.bmc.2022.117110 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 27810597 | 10.1016/j.ejmech.2016.10.039 | Unchecked | 2 |
| 20583844 | 10.1021/jm1001088 | Unchecked | 2 |
| 21067218 | 10.1021/jm101094p | Plasma | 2 |
| 20583844 | 10.1021/jm1001088 | No relevant target | 2 |
| 20583844 | 10.1021/jm1001088 | Phospholipase A2, major isoenzyme | 1 |
| 20583844 | 10.1021/jm1001088 | 85/88 kDa calcium-independent phospholipase A2 | 1 |
| 27810597 | 10.1016/j.ejmech.2016.10.039 | Cytosolic phospholipase A2 | 1 |
| 27810597 | 10.1016/j.ejmech.2016.10.039 | No relevant target | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 20583844 | 10.1021/jm1001088 | Liver microsomes | 1 |
| 36495814 | 10.1016/j.bmc.2022.117110 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine