Compound Detail
CHEMBL4287941
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Basic Information
| ChEMBL ID | CHEMBL4287941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSXCAWRVGLPZEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
6.86
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 CHEMBL1628461 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 567512.5 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 108000.0 | nM | Macaca fascicularis |
| T1/2 | 7.4 | hr | Macaca fascicularis |
| Tmax | 2.5 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 | IC50 | = | 0.28 | nM | 9.55 | Antagonist activity at OXE receptor in human neutrophils assessed as inhibition ... | 29972644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29972644 | 10.1021/acs.jmedchem.8b00154 | Cynomolgus monkey | 4 |
| 29972644 | 10.1021/acs.jmedchem.8b00154 | Oxoeicosanoid receptor 1 | 1 |
| 29972644 | 10.1021/acs.jmedchem.8b00154 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine