Compound Detail
CHEMBL18790
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Basic Information
| ChEMBL ID | CHEMBL18790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHAKQCXBMKLGNB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
3.99
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.5 | 6.45 | 320.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 35.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 320.0 | nM | 6.5 | Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells. | 12643942 |
| Prostaglandin G/H synthase 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibitory concentration was measured against Prostaglandin G/H synthase 2 in hu... | 12643942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Prostaglandin G/H synthase 2 | 2 |
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Rattus norvegicus | 2 |
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine