Compound Detail
CHEMBL545590
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Basic Information
| ChEMBL ID | CHEMBL545590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVGHCIWKDHPUFL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194081 |
| Active Moiety | CHEMBL1194081 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
5.14
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group VII phospholipase A2 CHEMBL3651 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Phospholipase A2 CHEMBL5016 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111358 | IC50 | 4.31 | 4.31 | 48700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group VII phospholipase A2 | IC50 | = | 4100.0 | nM | 5.39 | Compound was tested for its ability to inhibit porcine pancreas phospholipase-A2 | - |
| Phospholipase A2 | IC50 | = | 5500.0 | nM | 5.26 | Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of rat basophilic leukemia cell 5-lipoxygenase | - |
| Prostaglandin G/H synthase (cyclooxygenase) | IC50 | = | 48700.0 | nM | 4.31 | Inhibition of ovine seminal vesicle prostaglandin synthetase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81260-9 | Rattus norvegicus | 4 |
| - | 10.1016/S0960-894X(01)81260-9 | Mus musculus | 3 |
| - | 10.1016/S0960-894X(01)81260-9 | No relevant target | 1 |
| - | 10.1016/S0960-894X(01)81260-9 | Phospholipase A2 | 1 |
| - | 10.1016/S0960-894X(01)81260-9 | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| - | 10.1016/S0960-894X(01)81260-9 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(01)81260-9 | Prostaglandin-H2 D-isomerase | 1 |
| - | 10.1016/S0960-894X(01)81260-9 | Group VII phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine