Compound Detail
CHEMBL100422
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Basic Information
| ChEMBL ID | CHEMBL100422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKVZAQDXNZBKJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
4.63
ALogP
4
HBA
0
HBD
43.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00512-R | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00512-R | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00512-R | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine