Compound Detail
CHEMBL486903
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Cc1cc(C)c(NS(=O)(=O)c2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)c3cc(O)ccc3c2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL486903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTJZLVJCEOSQTP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
6.00
ALogP
5
HBA
3
HBD
112.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of mPGES1 | 18459759 |
| Prostaglandin E synthase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of mPGES1 | 20144869 |
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 |
Data from ChEMBL 36 via Core Engine