Compound Detail
CHEMBL295739
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Basic Information
| ChEMBL ID | CHEMBL295739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBDPSYDYYOULLK-LCYFTJDESA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
4.48
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| RBL-1 CHEMBL614772 | IC50 | 7.92 | 7.17 | 12.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of prostaglandin G/H synthase in intact rat basophilic leukemia cells... | 8295221 |
| RBL-1 | IC50 | = | 12.0 | nM | 7.92 | Compound was tested for its inhibitory activity against PGF-2 alpha (CO) formati... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 380.0 | nM | 6.42 | Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated ... | 8295221 |
| RBL-1 | IC50 | = | 380.0 | nM | 6.42 | Compound was tested for its inhibitory activity against LTB4 (5-LO) formation in... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 390.0 | nM | 6.41 | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell ... | 10197959 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1500.0 | nM | 5.82 | IC50 against recombinant human Prostaglandin G/H synthase 2 | 10197959 |
| Prostaglandin G/H synthase 1 | IC50 | = | 24000.0 | nM | 4.62 | IC50 against ovine Prostaglandin G/H synthase 1 | 10197959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 2 | 2 |
| 10197959 | 10.1021/jm9805081 | Prostaglandin G/H synthase 1 | 2 |
| 8295221 | 10.1021/jm00028a017 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80051-7 | RBL-1 | 2 |
| 8295221 | 10.1021/jm00028a017 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Cyclooxygenase | 1 |
| - | 10.1016/S0960-894X(00)80051-7 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80051-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine