Compound Detail
CHEMBL387969
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CC(=O)Nc1ccc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)cc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL387969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALQXIMZVQPKRND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.4
MW (Da)
6.73
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 0.3981 | nM | 9.4 | Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 ... | 17175160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17175160 | 10.1016/j.bmcl.2006.11.059 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine