Compound Detail
CHEMBL405844
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL405844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQCKZDZYCHDCIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.14
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 33000.0 | nM | 4.48 | 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 |
Data from ChEMBL 36 via Core Engine