Compound Detail
CHEMBL535346
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Basic Information
| ChEMBL ID | CHEMBL535346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEILDBWPWPIVDF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188118 |
| Active Moiety | CHEMBL1188118 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
5.59
ALogP
2
HBA
1
HBD
26.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL5016 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111358 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of rat basophilic leukemia cell 5-lipoxygenase | - |
| Prostaglandin G/H synthase (cyclooxygenase) | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of ovine seminal vesicle prostaglandin synthetase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 | Rattus norvegicus | 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 |
Data from ChEMBL 36 via Core Engine