Compound Detail
CHEMBL368409
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Basic Information
| ChEMBL ID | CHEMBL368409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZDYLQXXQBGTKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.41
ALogP
5
HBA
0
HBD
59.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 6500.0 | nM | 5.19 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00564-A | Rattus norvegicus | 3 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Cyclooxygenase | 1 |
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine