Compound Detail
CHEMBL5209411
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Basic Information
| ChEMBL ID | CHEMBL5209411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVAIJAIWUDDQGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.43
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.45 | 5.45 | 3520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3520.0 | nM | 5.45 | Inhibition of LPS-induced TNFalpha production in mouse RAW264.7 cells preincubat... | 35442672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35442672 | 10.1021/acs.jmedchem.1c02198 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine