Compound Detail
CHEMBL468744
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Basic Information
| ChEMBL ID | CHEMBL468744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBRCJVFJJKTMSI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.24
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 9.8 | nM | 8.01 | Reduction of chemotaxis in human neutrophils assessed as inhibition of fMLP-OMe-... | 19362486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19362486 | 10.1016/j.bmc.2009.03.035 | Neutrophil | 2 |
| 19362486 | 10.1016/j.bmc.2009.03.035 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine