Compound Detail
CHEMBL3667608
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Basic Information
| ChEMBL ID | CHEMBL3667608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIEBAZGXWLYEPD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
5.72
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 9.52 | 9.03 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 0.3 | nM | 9.52 | Fluorometric Imaging Plate Reader (FLIPR) Assay: Cell Culture Conditions: CHO-K1... | - |
| Prostaglandin D2 receptor 2 | IC50 | = | 2.9 | nM | 8.54 | Binding Assay: A whole cell receptor binding assay using [3H]ramatroban as the c... | - |
Data from ChEMBL 36 via Core Engine