Compound Detail
CHEMBL3920796
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Basic Information
| ChEMBL ID | CHEMBL3920796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCHXZTZHDBHTJJ-ITDWLTTLSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.56
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.16
EC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 6.26 | 6.26 | 552.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 6.16 | 6.16 | 700.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.0 | 6.0 | 1011.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 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 EP3 subtype | EC50 | = | 552.0 | nM | 6.26 | Agonist activity at human recombinant EP3A receptor expressed in HEK293 cells as... | - |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 700.0 | nM | 6.16 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 1011.0 | nM | 6.0 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]PGE2 from from human EP4 receptor expressed in HEK293 cells ... | - |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]PGE2 from from human EP3 receptor expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine