Compound Detail
CHEMBL491534
ISOBAVACHIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491534 |
| Name | ISOBAVACHIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYFBXCHUXFKMGQ-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 47000.0 | nM | 4.33 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 26073007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16441065 | 10.1021/np058080d | Unchecked | 6 |
| 26073007 | 10.1016/j.bmcl.2015.05.062 | RAW264.7 | 2 |
| 16441065 | 10.1021/np058080d | Raji | 1 |
| 19102656 | 10.1021/np800535g | Unchecked | 1 |
| 19102656 | 10.1021/np800535g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine