Compound Detail
CHEMBL2387693
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 | CHEMBL2387693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEQHEUASHFEMGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.51
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 490.0 | nM | 6.31 | 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 | 1 |
Data from ChEMBL 36 via Core Engine