Compound Detail
CHEMBL16550
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Basic Information
| ChEMBL ID | CHEMBL16550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPLCHNSHYROQKF-UVTDQMKNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.60
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 540.0 | nM | 6.27 | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell ... | 10197959 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1600.0 | nM | 5.8 | IC50 against ovine Prostaglandin G/H synthase 1 | 10197959 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6400.0 | nM | 5.19 | IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma | 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 |
Data from ChEMBL 36 via Core Engine