Compound Detail
CHEMBL4247050
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Basic Information
| ChEMBL ID | CHEMBL4247050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWZRDUVHMMGWFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.90
ALogP
7
HBA
1
HBD
94.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of HPGDS (unknown origin) | 30115511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30115511 | 10.1016/j.bmcl.2018.07.049 | Cytochrome P450 3A4 | 7 |
| 30115511 | 10.1016/j.bmcl.2018.07.049 | Hematopoietic prostaglandin D synthase | 1 |
Data from ChEMBL 36 via Core Engine