Compound Detail
CHEMBL4243248
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Basic Information
| ChEMBL ID | CHEMBL4243248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOWVSTOMAQDMOU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4300535 |
| Active Moiety | CHEMBL4300535 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
6.34
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-M/beta-2 CHEMBL2111362 | IC50 | 6.85 | 6.225 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-M/beta-2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of C3bi-AP binding to CR3 derived from human PMN | 28977749 |
| Integrin alpha-M/beta-2 | IC50 | = | 2500.0 | nM | 5.6 | Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-la... | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Integrin alpha-M/beta-2 | 2 |
Data from ChEMBL 36 via Core Engine