Compound Detail
CHEMBL147074
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Basic Information
| ChEMBL ID | CHEMBL147074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZKMQCYBPYQCCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
6.66
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 21000.0 | nM | 4.68 | Inhibitory activity was evaluated against human Prostaglandin G/H synthase 2 was... | 9871612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871612 | 10.1016/s0960-894x(98)00068-7 | Prostaglandin G/H synthase 1 | 2 |
| 9871612 | 10.1016/s0960-894x(98)00068-7 | Prostaglandin G/H synthase 2 | 2 |
Data from ChEMBL 36 via Core Engine