Compound Detail
CHEMBL2397756
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Basic Information
| ChEMBL ID | CHEMBL2397756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGHVYQBBZBLNDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.34 | 4.34 | 45500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 45500.0 | nM | 4.34 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 23743282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23743282 | 10.1016/j.bmcl.2013.04.032 | ADMET | 1 |
| 23743282 | 10.1016/j.bmcl.2013.04.032 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine