Compound Detail
CHEMBL433287
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Basic Information
| ChEMBL ID | CHEMBL433287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKPFBHQYHSRHPJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
4.34
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-laye... | 11844663 |
| Cyclooxygenase | IC50 | = | 550.0 | nM | 6.26 | Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line | 2115586 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of 5-lipoxygenase in intact RBL-1 cell line | 2115586 |
| Prostaglandin G/H synthase 2 | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-laye... | 11844663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2115586 | 10.1021/jm00170a004 | Rattus norvegicus | 3 |
| 2115586 | 10.1021/jm00170a004 | Cyclooxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Unchecked | 1 |
| 11844663 | 10.1016/s0960-894x(01)00792-2 | Prostaglandin G/H synthase 1 | 1 |
| 11844663 | 10.1016/s0960-894x(01)00792-2 | Prostaglandin G/H synthase 2 | 1 |
| 11844663 | 10.1016/s0960-894x(01)00792-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine