Compound Detail
CHEMBL598970
ALNUSIDE B Enter ChEMBL ID:
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O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL598970 |
| Name | ALNUSIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQQLSXWIDDTWRR-RABNCREUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
1.15
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 15200.0 | nM | 4.82 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23465614 | 10.1016/j.bmcl.2013.01.127 | 3T3-L1 | 4 |
| 21504848 | 10.1016/j.bmcl.2011.03.074 | NON-PROTEIN TARGET | 2 |
| 20045319 | 10.1016/j.bmcl.2009.12.057 | Influenza A virus | 1 |
| 20045319 | 10.1016/j.bmcl.2009.12.057 | ADMET | 1 |
| 20045319 | 10.1016/j.bmcl.2009.12.057 | Unchecked | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine