Compound Detail
CHEMBL1644217
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Basic Information
| ChEMBL ID | CHEMBL1644217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZINBWMRNPGUNCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.78
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 0.7943 | nM | 9.1 | Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed ... | 21147533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21147533 | 10.1016/j.bmcl.2010.11.071 | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine