Compound Detail
CHEMBL171335
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Basic Information
| ChEMBL ID | CHEMBL171335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFJVUELGIACRGE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.35
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against inducible form of human recombinant Prostag... | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 830.0 | nM | 6.08 | In vitro inhibitory activity against constitutive form of human recombinant Pros... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00131-C | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00131-C | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine