Compound Detail
CHEMBL2036207
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Basic Information
| ChEMBL ID | CHEMBL2036207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMXWHSQEAKBLFF-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
3.50
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 8.55 | 7.975 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 2.0 | nM | 8.7 | Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane... | 24900284 |
| Prostaglandin D2 receptor 2 | IC50 | = | 2.8 | nM | 8.55 | Antagonist activity at human CRTH2 receptor expressed in CHO cell membrane asses... | 24900284 |
| Prostaglandin D2 receptor 2 | IC50 | = | 40.0 | nM | 7.4 | Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibitio... | 24900284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900284 | 10.1021/ml200223s | Prostaglandin D2 receptor 2 | 5 |
Data from ChEMBL 36 via Core Engine