Compound Detail
CHEMBL406105
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Basic Information
| ChEMBL ID | CHEMBL406105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZROILLPDIUNLSE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.57
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 3.05
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 3.05 | 3.05 | 890000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 890000.0 | nM | 3.05 | Inhibition of glutathione-S-transferase activity of prostaglandin D2 synthase | 18341273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18341273 | 10.1021/jm701509k | Hematopoietic prostaglandin D synthase | 1 |
| 25978964 | 10.1016/j.bmcl.2015.04.065 | Hematopoietic prostaglandin D synthase | 1 |
Data from ChEMBL 36 via Core Engine