Compound Detail
CHEMBL3686017
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CCc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)c(CC)c1CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL3686017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLHLHVWTKVWUNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.9
MW (Da)
5.75
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 0.5 | nM | 9.3 | Radioligand Binding Assay: The CRTH2 receptor binding assay is performed in a sc... | - |
Data from ChEMBL 36 via Core Engine