Compound Detail
CHEMBL1819617
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Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1ccc(F)c(CC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL1819617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQZSKUFYKQHNFM-FQEVSTJZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
4.29
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL3933 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Prostaglandin D2 receptor CHEMBL3933 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 1.2 | nM | 8.92 | Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells asses... | 21885288 |
| Prostaglandin D2 receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cell... | 21885288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21885288 | 10.1016/j.bmc.2011.08.007 | Prostaglandin D2 receptor | 2 |
Data from ChEMBL 36 via Core Engine