Compound Detail
CHEMBL3972679
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Cc1csc(S(=O)(=O)N(c2cc(C)c(C)cc2OCc2ccc(-c3noc(=O)[nH]3)cc2)C(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL3972679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYFLEEMLDYTIKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
4.59
ALogP
8
HBA
1
HBD
118.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 7.1 | nM | 8.15 | Inhibition Assay: The cells expressing mouse EP1 receptor were seeded at 104 cel... | - |
Data from ChEMBL 36 via Core Engine