Compound Detail
CHEMBL89096
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[N-]=[N+]=Nc1cc(O)cc(OC[C@H](O)/C=C/[C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL89096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSKCWMHFLXQDGA-IINNUNJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.19
ALogP
7
HBA
5
HBD
176.2
PSA (Ų)
0.11
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 11000.0 | nM | 4.96 | Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) wi... | 2909739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909739 | 10.1021/jm00121a046 | Prostaglandin F2-alpha receptor | 1 |
| 2909739 | 10.1021/jm00121a046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine