Compound Detail
CHEMBL3922856
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Basic Information
| ChEMBL ID | CHEMBL3922856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOCLEBHKVQABNF-QQMHWKEJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
6.18
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.47 | 5.47 | 3407.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 5.42 | 5.42 | 3828.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 3407.0 | nM | 5.47 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 3828.0 | nM | 5.42 | Agonist activity at human recombinant EP3A receptor expressed in HEK293 cells as... | - |
Data from ChEMBL 36 via Core Engine