Compound Detail
CHEMBL258467
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Basic Information
| ChEMBL ID | CHEMBL258467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKZZDHKJFDTYCH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.41
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 6.86 | 5.5767 | 138.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 138.0 | nM | 6.86 | Inhibition of glutathione-S-transferase activity of prostaglandin D2 synthase | 18341273 |
| Hematopoietic prostaglandin D synthase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immu... | 20684598 |
| Hematopoietic prostaglandin D synthase | IC50 | = | 94600.0 | nM | 4.02 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immu... | 20684598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684598 | 10.1021/jm100194a | Hematopoietic prostaglandin D synthase | 2 |
| 18341273 | 10.1021/jm701509k | Hematopoietic prostaglandin D synthase | 1 |
Data from ChEMBL 36 via Core Engine