Compound Detail
CHEMBL3903611
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Basic Information
| ChEMBL ID | CHEMBL3903611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKEIZHJYCQKMOM-JAZPPYFYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
6.15
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
Ki 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 8.7 | 8.61 | 2.0 | 2 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human recombinant EP2 receptor expressed in HEK-EBNA cells i... | - |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 54.0 | nM | 7.27 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 55.0 | nM | 7.26 | Agonist activity at human recombinant EP3A receptor expressed in HEK293 cells as... | - |
Data from ChEMBL 36 via Core Engine