Compound Detail
CHEMBL2385121
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Cc1c(CC(=O)O)c(-c2ccccc2)nn1C(c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL2385121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCNMNAQGOGZNKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.67
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 5000.0 | nM | 5.3 | 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