Compound Detail
CHEMBL5639602
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Basic Information
| ChEMBL ID | CHEMBL5639602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABFUDENISWSELM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
5.47
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 7.88 | 7.88 | 13.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 900.0 | ng.hr.mL-1 | Mus musculus |
| CL | 1.85 | ml/min | Mus musculus |
| T1/2 | 1.032 | hr | Mus musculus |
| Vz | 165.0 | ml | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 13.3 | nM | 7.88 | Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... | 37918036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37918036 | 10.1016/j.ejmech.2023.115874 | Neutrophil | 5 |
| 37918036 | 10.1016/j.ejmech.2023.115874 | ADMET | 4 |
Data from ChEMBL 36 via Core Engine