Compound Detail
CHEMBL1689262
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Basic Information
| ChEMBL ID | CHEMBL1689262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYEZJIXULOZDRT-FMEUAVTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
1.89
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.49 | 4.49 | 32560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 32560.0 | nM | 4.49 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 26774654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21261296 | 10.1021/np100373f | RAW264.7 | 1 |
| 21261296 | 10.1021/np100373f | Prostaglandin G/H synthase 1 | 1 |
| 21261296 | 10.1021/np100373f | Prostaglandin G/H synthase 2 | 1 |
| 21261296 | 10.1021/np100373f | ADMET | 1 |
| 21261296 | 10.1021/np100373f | MCF7 | 1 |
| 26774654 | 10.1016/j.bmcl.2016.01.008 | ADMET | 1 |
| 26774654 | 10.1016/j.bmcl.2016.01.008 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine