Compound Detail
CHEMBL518461
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Basic Information
| ChEMBL ID | CHEMBL518461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYAWOSLKARYYMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
5.19
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.9 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 21000.0 | nM | Rattus norvegicus |
| F | 52.0 | % | Rattus norvegicus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 1.1 | nM | 8.96 | Inhibition of prostaglandin DP receptor | 18570365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18570365 | 10.1021/jm800219f | Rattus norvegicus | 4 |
| 18570365 | 10.1021/jm800219f | Liver microsomes | 2 |
| 18570365 | 10.1021/jm800219f | Prostaglandin D2 receptor | 1 |
| 18570365 | 10.1021/jm800219f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine