Compound Detail
CHEMBL197398
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Basic Information
| ChEMBL ID | CHEMBL197398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUSDXXPMRBUTNN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.95
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.01 | 6.01 | 987.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 5.31 | 5.31 | 4860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 250.0 | nM | 6.6 | Binding affinity towards human CRTH2 receptor expressed in CHO cells | 16190744 |
| Prostaglandin D2 receptor 2 | IC50 | = | 987.0 | nM | 6.01 | Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO ce... | 16190744 |
| Prostaglandin D2 receptor | Ki | = | 4860.0 | nM | 5.31 | Binding affinity towards human DP receptor expressed in CHO cells | 16190744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190744 | 10.1021/jm050519b | Prostaglandin D2 receptor 2 | 2 |
| 16190744 | 10.1021/jm050519b | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine