Compound Detail
CHEMBL5952736
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COc1ccccc1[C@@H](CNC(=O)c1c(C)c(-c2ccccc2)nc2ccc(Br)cc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5952736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRVZLMCGQFTSRN-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.4
MW (Da)
5.58
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 7.2 | nM | 8.14 | In Vitro Test of Inhibition of Human FP Receptor Activity: For the characterizat... | - |
Data from ChEMBL 36 via Core Engine