Compound Detail
CHEMBL3949271
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Basic Information
| ChEMBL ID | CHEMBL3949271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPBWBYYYMUJPHT-XMCWYHTOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
5.36
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.82
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 4600.0 | nM | 5.34 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 15000.0 | nM | 4.82 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
Data from ChEMBL 36 via Core Engine