Compound Detail
CHEMBL34003
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Basic Information
| ChEMBL ID | CHEMBL34003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBPJKECUYUUSQD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.15
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111358 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase (cyclooxygenase) | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes | 3488405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3488405 | 10.1021/jm00158a020 | Rattus norvegicus | 3 |
| 3488405 | 10.1021/jm00158a020 | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
Data from ChEMBL 36 via Core Engine