Compound Detail
CHEMBL4130040
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Basic Information
| ChEMBL ID | CHEMBL4130040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMLNYELUXRVLGZ-OSDQZAHSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
5.26
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 CHEMBL1628461 | EC50 | 5.68 | 5.68 | 2080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 | EC50 | = | 2080.0 | nM | 5.68 | Agonist activity at human PK-tagged OXER1 expressed in CHOK1 cells assessed as E... | 29866479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29866479 | 10.1016/j.bmc.2018.05.036 | Oxoeicosanoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine