Compound Detail
CHEMBL312476
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CC1(C)[C@H]2C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](C/C=C\CCCC(=O)O)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL312476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYJURYUFKJKHRP-GEXSXJSESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.7
MW (Da)
5.88
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 1300.0 | nM | 5.89 | Prostaglandin D2 receptor antagonist activity, evaluated by inhibition of [3H]PG... | 12773048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773048 | 10.1021/jm0205189 | Prostaglandin D2 receptor | 2 |
Data from ChEMBL 36 via Core Engine