Compound Detail
CHEMBL2096754
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Basic Information
| ChEMBL ID | CHEMBL2096754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFLCZHOSQMPCMN-VIFPVBQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
3.60
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.34 | 4.34 | 45240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 45240.0 | nM | 4.34 | In vitro inhibitory concentration against ram seminal vesicle prostaglandin G/H ... | 15013005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013005 | 10.1016/j.bmcl.2003.11.066 | Rattus norvegicus | 1 |
| 15013005 | 10.1016/j.bmcl.2003.11.066 | Prostaglandin G/H synthase 1 | 1 |
| 15013005 | 10.1016/j.bmcl.2003.11.066 | Prostaglandin G/H synthase 2 | 1 |
| 15013005 | 10.1016/j.bmcl.2003.11.066 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine