Compound Detail
CHEMBL4454083
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Basic Information
| ChEMBL ID | CHEMBL4454083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTKAZYGAKQTMJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.95
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 49.0 | nM | 7.31 | Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli ... | 30858025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30858025 | 10.1016/j.bmc.2019.02.017 | Hematopoietic prostaglandin D synthase | 1 |
Data from ChEMBL 36 via Core Engine