Compound Detail
CHEMBL3908432
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Basic Information
| ChEMBL ID | CHEMBL3908432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGUNXCGYTAJBBB-KVSKMBFKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.45
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 5.73 | 5.73 | 1873.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.5 | 5.5 | 3128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | EC50 | = | 94.0 | nM | 7.03 | Agonist activity at human recombinant TP receptor expressed in HEK293 cells asse... | - |
| Prostaglandin E2 receptor EP1 subtype | EC50 | = | 1873.0 | nM | 5.73 | Agonist activity at human recombinant EP1 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 3128.0 | nM | 5.5 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
Data from ChEMBL 36 via Core Engine