Compound Detail
CHEMBL2036029
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Basic Information
| ChEMBL ID | CHEMBL2036029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JANNAONJIXKRKO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.25
ALogP
5
HBA
1
HBD
84.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 3.6 | nM | 8.44 | Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane... | 24900284 |
| Prostaglandin D2 receptor 2 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human CRTH2 receptor expressed in CHO cell membrane asses... | 24900284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900284 | 10.1021/ml200223s | Prostaglandin D2 receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine