Compound Detail
CHEMBL3958936
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Basic Information
| ChEMBL ID | CHEMBL3958936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HORABUFWIBXDQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.59
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of LPS/INF-gamma-stimulated nitric oxide production in mouse RAW264.7... | 27955927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27955927 | 10.1016/j.bmc.2016.11.055 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine