Compound Detail
CHEMBL3794466
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CCc1cc(OC[C@@H]2[C@H]3CC[C@H](c4nc(C(=O)O)cs4)O[C@H]3C[C@H]2O)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL3794466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDXHIPVDPASPHJ-PXHWLCEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
4.35
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 9.17 | 9.17 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 0.68 | nM | 9.17 | Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP l... | 27055938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27055938 | 10.1016/j.bmcl.2016.03.110 | Prostaglandin E2 receptor EP2 subtype | 4 |
Data from ChEMBL 36 via Core Engine