Compound Detail
CHEMBL3976116
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Basic Information
| ChEMBL ID | CHEMBL3976116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMMUDLZBSSMGFI-QEUVDIPISA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.9
MW (Da)
4.67
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 6.66 | 6.66 | 221.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.09 | 6.09 | 818.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 5.2 | 5.2 | 6251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human recombinant TP receptor expressed in HEK293 cells asse... | - |
| Prostaglandin E2 receptor EP1 subtype | EC50 | = | 221.0 | nM | 6.66 | Agonist activity at human recombinant EP1 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 818.0 | nM | 6.09 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 6251.0 | nM | 5.2 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine