Compound Detail
CHEMBL464986
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Basic Information
| ChEMBL ID | CHEMBL464986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMSXFHQOERKWAU-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.71
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.1 CHEMBL4296442 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.1 | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of LPS-induced NO production in mouse J774.1 cells after 24 hrs by Gr... | 15974608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974608 | 10.1021/np050009k | J774.1 | 1 |
Data from ChEMBL 36 via Core Engine