Compound Detail
CHEMBL507979
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)c1c(-c2ccc(OC(F)(F)F)cc2)c2sc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL507979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XISIUVDLVSSQSS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
612.0
MW (Da)
9.23
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.41 | 6.41 | 390.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of mPGES1 | 18459759 |
| Prostaglandin E synthase | IC50 | = | 390.0 | nM | 6.41 | Inhibition of mPGES1 | 20144869 |
| Prostaglandin E synthase | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition ... | 21466167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459759 | 10.1021/jm800197b | Unchecked | 1 |
| 20144869 | 10.1016/j.bmcl.2010.01.060 | Prostaglandin E synthase | 1 |
| 21466167 | 10.1021/jm101309g | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine