Compound Detail
CHEMBL370257
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Basic Information
| ChEMBL ID | CHEMBL370257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXQRBYFLZSHNKM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.09
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Ki 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.15 | 7.15 | 71.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 71.0 | nM | 7.15 | Binding affinity towards human CRTH2 receptor expressed in CHO cells | 16190744 |
| Prostaglandin D2 receptor 2 | IC50 | = | 158.0 | nM | 6.8 | Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO ce... | 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