Compound Detail
CHEMBL2385114
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Basic Information
| ChEMBL ID | CHEMBL2385114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYGBUYKFDBCDJZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
1.99
ALogP
5
HBA
2
HBD
109.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.8 | 6.4 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 160.0 | nM | 6.8 | Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 ce... | 23601708 |
| Prostaglandin D2 receptor 2 | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibitio... | 23601708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23601708 | 10.1016/j.bmcl.2013.03.093 | Prostaglandin D2 receptor 2 | 2 |
| 23601708 | 10.1016/j.bmcl.2013.03.093 | Thromboxane A2 receptor | 1 |
| 23601708 | 10.1016/j.bmcl.2013.03.093 | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine