Compound Detail
CHEMBL277515
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Basic Information
| ChEMBL ID | CHEMBL277515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTRKBNINDIYVFS-VBKFSLOCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.95
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1900.0 | nM | 5.72 | IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell ... | 10197959 |
| Prostaglandin G/H synthase 1 | IC50 | = | 4000.0 | nM | 5.4 | IC50 against ovine Prostaglandin G/H synthase 1 | 10197959 |
| Prostaglandin G/H synthase 2 | IC50 | = | 26000.0 | nM | 4.58 | IC50 against recombinant human Prostaglandin G/H synthase 2 | 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