Compound Detail
CHEMBL2385124
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 | CHEMBL2385124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHYFLKZMAHTBNE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.60
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 8.3 | 8.0625 | 5.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition... | 23601708 |
| Prostaglandin D2 receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Antagonist activity at CRTh2 in human whole blood assessed as inhibition of PGD2... | 24292338 |
| Prostaglandin D2 receptor 2 | IC50 | = | 14.0 | nM | 7.85 | Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed i... | 26922232 |
| Prostaglandin D2 receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 ce... | 23601708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23601708 | 10.1016/j.bmcl.2013.03.093 | Prostaglandin D2 receptor 2 | 2 |
| 24292338 | 10.1016/j.ejmech.2013.10.072 | Prostaglandin D2 receptor 2 | 1 |
| 26922232 | 10.1016/j.ejmech.2016.02.023 | Peroxisomal membrane protein PEX16 | 1 |
| 26922232 | 10.1016/j.ejmech.2016.02.023 | Prostaglandin D2 receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine