Compound Detail
CHEMBL17184
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Basic Information
| ChEMBL ID | CHEMBL17184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSVKRWJGUDWYLS-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.96
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.52 | 8.52 | 3.0 | 4 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.48 | 6.0767 | 330.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3.02 | nM | 8.52 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against prostaglandin G/H synthase 2 (COX-2). | 8568815 |
| Prostaglandin G/H synthase 2 | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibitory activity against inducible form of human recombinant Prostag... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibitory activity against human Prostaglandin G/H synthase 2 | 10328307 |
| Prostaglandin G/H synthase 1 | IC50 | = | 330.0 | nM | 6.48 | In vitro inhibitory activity against constitutive form of human recombinant Pros... | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human Prostaglandin G/H synthase 1 | 10328307 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibitory activity against prostaglandin G/H synthase 1 (COX-1). | 8568815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568815 | 10.1021/jm950664x | Rattus norvegicus | 4 |
| - | 10.1016/0960-894X(95)00131-C | Rattus norvegicus | 2 |
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 8568815 | 10.1021/jm950664x | Prostaglandin G/H synthase 2 | 1 |
| 8568815 | 10.1021/jm950664x | Prostaglandin G/H synthase 1 | 1 |
| 8568815 | 10.1021/jm950664x | Cyclooxygenase | 1 |
| - | 10.1016/0960-894X(95)00131-C | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00131-C | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00131-C | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00131-C | Cyclooxygenase | 1 |
| 10328307 | 10.1016/s0960-894x(99)00157-2 | Prostaglandin G/H synthase 1 | 1 |
| 10328307 | 10.1016/s0960-894x(99)00157-2 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine