Compound Detail
CHEMBL1807487
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Basic Information
| ChEMBL ID | CHEMBL1807487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCCNWHJQXNUQE-PXNMLYILSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.03
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.54 | 5.08 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2900.0 | nM | 5.54 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 23920.0 | nM | 4.62 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0413-3 | NON-PROTEIN TARGET | 4 |
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| - | 10.1007/s00044-012-0413-3 | Radical scavenging activity | 2 |
| 28651984 | 10.1016/j.bmcl.2017.06.040 | Unchecked | 1 |
| 38052378 | 10.1016/j.bmcl.2023.129574 | Pancreatic triacylglycerol lipase | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | Phosphodiesterase 4 | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine