Compound Detail
CHEMBL3906402
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Basic Information
| ChEMBL ID | CHEMBL3906402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAXKGIZARLQFTR-PSDZMVHGSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.97
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.83
Ki 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.83 | 6.37 | 148.0 | 4 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 5.64 | 5.64 | 2293.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 148.0 | nM | 6.83 | Agonist activity at recombinant human EP2 receptor expressed in HEK293-EBNA cell... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 148.0 | nM | 6.83 | Agonist activity at human recombinant EP2 receptor expressed in HEK-EBNA cells i... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 1228.0 | nM | 5.91 | Agonist activity at recombinant human EP2 receptor expressed in HEK293-EBNA cell... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 1228.0 | nM | 5.91 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2293.0 | nM | 5.64 | Displacement of [3H]-PGE2 from human EP2 receptor expressed in HEK293 cells afte... | - |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2293.0 | nM | 5.64 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine