Compound Detail
CHEMBL5742825
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Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(=O)O)c1c(Cl)ccc(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5742825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIHGZIGGORFLMQ-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.9
MW (Da)
7.28
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 1.2 | nM | 8.92 | In Vitro Test of Inhibition of Human FP Receptor Activity: For the characterizat... | - |
Data from ChEMBL 36 via Core Engine